All Ligands
All
Approved
Synthetic organic
Metabolite
Natural product
Peptide
Inorganic
Antibody
All ligands with an affinity for one or more of the drug-responsive
elements - both approved and unapproved by a regulatory body ().
| Name | ID | Approved | Type | Mass | Synonyms |
|---|---|---|---|---|---|
| [3H]QNB | 318 | No | Synthetic organic | 337.167786 | [3H]quinuclidinylbenzilate |
| staurosporine | 346 | No | Natural product | 466.200500 | antibiotic 230, antibiotic AM-2282, (+)-staurosporine |
| tiotropium | 367 | Yes | Synthetic organic | 392.099030 | BA-679-BR, Spiriva® |
| CGS 21680 | 375 | No | Synthetic organic | 499.217926 | CGS21680, CGS-21680 |
| NECA | 377 | No | Synthetic organic | 308.123291 | 5''-N-ethylcarboxamidoadenosine |
| xanthine amine congener | 404 | No | Synthetic organic | 428.217194 | papaxac |
| ZM-241385 | 405 | No | Synthetic organic | 337.128723 | ZM241385, ZM-241,385 |
| caffeine | 407 | Yes | Natural product | 194.080368 | methyltheobromine |
| [3H]CGS 21680 | 424 | No | Synthetic organic | 499.217926 | [3H]-CGS21680 |
| [3H]NECA | 425 | No | Synthetic organic | 308.123291 | [3H]adenosine-5''-(N-ethylcarboxamide) |
| [3H]XAC | 432 | No | Synthetic organic | 428.217194 | [3H]xanthine amine congener |
| (-)-adrenaline | 479 | Yes | Metabolite | 183.089539 | adrenalin, Auvi-Q®, Epipen®, l-adrenaline, L-epinephrine, levoepinephrine |
| ICI 118551 | 543 | No | Synthetic organic | 277.204193 | ICI-118551, ICI-118,551 |
| alprenolol | 563 | Yes | Synthetic organic | 249.172882 | Atenenol® |
| timolol | 565 | Yes | Synthetic organic | 316.156921 | Timoptic® |
| carazolol | 569 | Yes | Synthetic organic | 298.168121 | BM-51052, conducton, corazolol |
| chenodeoxycholic acid | 608 | Yes | Metabolite | 392.292664 | Chenix®, chenodeoxycholate, Chenodiol® |
| Ca2+ | 707 | No | Inorganic | 40.077999 | calcium ion, Ca2+ |
| [3H]maraviroc | 803 | No | Synthetic organic | 513.327942 | [3H]UK 427,857, [3H]UK-427,857 |
| maraviroc | 806 | Yes | Synthetic organic | 513.327942 | Celsentri®, Selzentry®, UK 427857, UK-427,857 |
| urocortin 1 | 919 | No | Peptide | 1797.038086 | |
| eticlopride | 966 | No | Synthetic organic | 340.155365 | |
| 17β-estradiol | 1013 | Yes | Metabolite | 272.177643 | estrogen, oestrodiol, oestrogen |
| cyclosporin A | 1024 | Yes | Peptide | 1201.841309 | ciclosporin, cyclosporine, cyclosporine A, Neoral®, Sandimmune® |
| rosiglitazone | 1056 | Yes | Synthetic organic | 357.114716 | Avandia®, rosiglizole |
| GABA | 1067 | No | Metabolite | 103.063332 | 4-aminobutyric acid, γ-amino butyric acid, gamma-aminobutyric acid |
| CGP 35348 | 1069 | No | Synthetic organic | 225.112991 | CGP35348, CGP-35348 |
| CGP 54626A | 1070 | No | Synthetic organic | 407.118378 | CGP54626, CGP-54626 |
| SCH 50911 | 1075 | No | Synthetic organic | 173.105194 | SCH50911, SCH-50911 |
| baclofen | 1084 | Yes | Synthetic organic | 213.055649 | Baclon®, Kemstro®, Lioresal® |
| CGP 46381 | 1086 | No | Synthetic organic | 219.138809 | CGP46381, CGP-46381 |
| phaclofen | 1091 | No | Synthetic organic | 249.032150 | |
| doxepin | 1225 | Yes | Synthetic organic | 279.162323 | Deptran®, P-3693A, Sinequan® |
| β-FNA | 1631 | No | Synthetic organic | 454.210388 | beta-funaltrexamine, naltrexone fumarate methyl ester |
| naltrindole | 1641 | No | Synthetic organic | 414.194336 | |
| SB 612111 | 1693 | No | Synthetic organic | 417.162628 | SB612111, SB-612111 |
| 2MeSADP | 1710 | No | Metabolite | 473.017151 | 2-MeSADP, 2-methylthio-adenosine-5''-diphosphate, 2-methylthio-ADP |
| MRS2500 | 1724 | No | Synthetic organic | 560.967529 | MRS 2500, MRS-2500 |
| [3H]2MeSADP | 1763 | No | Metabolite | 473.017151 | [3H]2-methylthio-ADP |
| indomethacin | 1909 | Yes | Synthetic organic | 357.076782 | Indocid®, Indocin® |
| cyclic GMP | 2347 | No | Metabolite | 345.047424 | 3'',5''-cyclic GMP, 3'',5''-guanosine monophosphate, cyclic guanosine monophosphate |
| cyclic AMP | 2352 | No | Metabolite | 329.052521 | 3'' 5''-adenosine monophosphate, 3'',5''-cyclic AMP, cyclic adenosine monophosphate, cyclic AMP |
| progesterone | 2377 | Yes | Metabolite | 314.224579 | Prometrium®, Utrogestan® |
| mefenamic acid | 2593 | Yes | Synthetic organic | 241.110275 | CI-473, CN-35355, INF-3355, Ponstan®, Ponstel® |
| triiodothyronine | 2634 | Yes | Metabolite | 650.790039 | 3,5,3''-triodo-L-thyronine, Cytomel®, liothyronine sodium |
| T4 | 2635 | Yes | Metabolite | 776.686707 | Eltroxin®, levothyroxine, levothyroxine sodium, L-thyroxine |
| tiratricol | 2637 | No | Metabolite | 621.763489 | 3,3'',5-triiodothyroacetic acid, TRIAC |
| KB-141 | 2638 | No | Synthetic organic | 354.042572 | KB141, KB 141 |
| sobetirome | 2639 | No | Synthetic organic | 328.167450 | GC-1, GC 1 compound, QRX-431 |
| BMS614 | 2643 | No | Synthetic organic | 448.178680 | BMS 614, BMS-614 |
| tretinoin | 2644 | Yes | Metabolite | 300.208923 | all-trans-retinoic acid (ATRA), Avita®, Renova® |
| alitretinoin | 2645 | Yes | Metabolite | 300.208923 | 9-cis-retinoic acid, Panretin®, Toctino® |
| TTNPB | 2646 | No | Synthetic organic | 348.208923 | |
| Ro 40-6055 | 2647 | No | Synthetic organic | 351.183441 | AM580, AM 580, CD-336, Ro406055 |
| BMS270394 | 2653 | No | Synthetic organic | 399.184601 | BMS 270394, BMS-270394, BMS 961 |
| GW409544 | 2656 | No | Synthetic organic | 510.215485 | GW 409544 |
| ragaglitazar | 2664 | No | Synthetic organic | 419.173279 | |
| pirinixic acid | 2666 | No | Synthetic organic | 323.049530 | WY14643 |
| farglitazar | 2672 | No | Synthetic organic | 546.215454 | GI-262570X |
| GW0742X | 2686 | No | Synthetic organic | 471.058594 | GW0742, GW-0742X |
| L-783483 | 2688 | No | Synthetic organic | 487.083191 | F3MethylAA |
| L-165041 | 2691 | No | Synthetic organic | 402.167847 | L165041 |
| GW0072 | 2695 | No | Synthetic organic | 614.317810 | GW 0072 |
| nTzDpa | 2699 | No | Synthetic organic | 427.020050 | |
| netoglitazone | 2707 | No | Synthetic organic | 381.083496 | MCC555, MCC-555, RWJ-241947 |
| diclofenac | 2714 | Yes | Synthetic organic | 295.016693 | Cataflam®, CGP-45840B, GP-45840, Voltaren®, Voltarol® |
| GW2433 | 2716 | No | Synthetic organic | 580.109863 | GW 2433, GW-2433 |
| cholesterol | 2718 | No | Metabolite | 386.354858 | cholest-5-en-3β-ol |
| cholesterol sulphate | 2738 | No | Metabolite | 466.311676 | cholesteryl sulfate |
| GW4064 | 2743 | No | Synthetic organic | 541.061462 | C412815, GW-4064 |
| fexaramine | 2744 | No | Synthetic organic | 496.272583 | |
| 24(S), 25-epoxycholesterol | 2751 | No | Metabolite | 400.334137 | 24,25-epoxy-cholesterol |
| GW3965 | 2754 | No | Synthetic organic | 581.194458 | C473027, GW 3965, GW-3965 |
| T0901317 | 2755 | No | Synthetic organic | 481.039429 | T 0901317, T-0901317 |
| CITCO | 2758 | No | Synthetic organic | 434.976654 | |
| androstenol | 2761 | No | Metabolite | 274.229675 | androst-16-en-3-ol |
| SR12813 | 2763 | No | Synthetic organic | 504.240570 | SR 12813, SR-12813 |
| hyperforin | 2764 | No | Natural product | 536.386536 | |
| dexamethasone | 2768 | Yes | Synthetic organic | 392.199890 | Decadron®, desametasone, fluormethylprednisolone |
| lexacalcitol | 2775 | No | Synthetic organic | 460.355255 | 1α,25-(OH),-20-epi-22-oxa-24,26,27-trishomovitamin D, KH1060 |
| seocalcitol | 2777 | No | Synthetic organic | 454.344696 | EB1089, EB 1089 |
| calcipotriol | 2778 | Yes | Synthetic organic | 412.297760 | Dovonex®, MC903 |
| 1,25-dihydroxyvitamin D3 | 2779 | Yes | Metabolite | 416.329041 | Calcijex®, calcitriol, Rocaltrol® |
| diethylstilbestrol | 2801 | Yes | Metabolite | 268.146332 | stilboestrol |
| bexarotene | 2807 | Yes | Synthetic organic | 348.208923 | LGD1069, Targrexin® |
| 4-hydroxytamoxifen | 2817 | No | Synthetic organic | 387.219818 | 4-OHT, afimoxifene |
| estrone | 2818 | Yes | Metabolite | 270.161987 | Aquest®, Kestrone®, oestrone |
| raloxifene | 2820 | Yes | Synthetic organic | 473.166077 | Evista®, LY-156758, raloxifene hydrochloride |
| estriol | 2821 | Yes | Metabolite | 288.172546 | Trimesta® |
| R,R-THC | 2822 | No | Synthetic organic | 320.177643 | |
| genistein | 2826 | No | Synthetic organic | 270.052826 | 5,7,4''-trihydroxyisoflavone |
| dihydrotestosterone | 2856 | No | Metabolite | 290.224579 | 5α-dihydrotestosterone, androstanolone, stanolone |
| methyltrienolone | 2857 | No | Synthetic organic | 284.177643 | R1881 |
| hydroxyflutamide | 2862 | No | Synthetic organic | 292.067078 | |
| cyproterone acetate | 2865 | Yes | Synthetic organic | 416.175446 | Androcur®, Cyprostat®, SH-714 |
| cortisol | 2868 | Yes | Metabolite | 362.209320 | Acticort®, Plenadren® |
| deoxycorticosterone | 2871 | No | Metabolite | 330.219482 | 11-deoxycorticosterone, 21-hydroxyprogesterone |
| aldosterone | 2872 | No | Metabolite | 360.193665 | |
| spironolactone | 2875 | Yes | Synthetic organic | 416.202118 | Aldactone®, spiractin, spirotone |
| levonorgestrel | 2881 | Yes | Synthetic organic | 312.208923 | l-norgestrel, Norplant® |
| asoprisnil | 2883 | No | Synthetic organic | 449.256622 | J867, J-867 |
| 25-hydroxycholesterol | 2885 | No | Metabolite | 402.349792 | 25-OHC |
| suvorexant | 2890 | Yes | Synthetic organic | 450.157104 | Belsomra®, DORA-analogue, MK 4305, MK-4305 |
| isothiourea-1t | 2899 | No | Synthetic organic | 406.222504 | IT1t |
| isopentenyl diphosphate | 3048 | No | Metabolite | 246.005829 | IPP, IPPP, isopentenyl pyrophosphate |
| geranylgeranyl diphosphate | 3052 | No | Metabolite | 450.193634 | all-trans-geranylgeranyl diphosphate, all-trans-geranylgeranyl-PP, geranylgeranyl-PP, geranylgeranyl pyrophosphate, GGPP |
| zaragozic acid A | 3057 | No | Natural product | 690.288757 | L 694599, L-694599, squalestatin, squalestatin 1 |
| ibandronic acid | 3059 | Yes | Synthetic organic | 319.094971 | Bondronat®, Boniva®, ibandronate |
| alendronate | 3141 | Yes | Synthetic organic | 249.016724 | ABDP, BPH 1, Fosamax®, MK-217 |
| diphosphoric acid | 3151 | No | Synthetic organic | 177.943222 | phosphonooxyphosphonic acid, pyrophosphoric acid |
| minodronic acid | 3164 | No | Synthetic organic | 322.011963 | BPH 261, ONO 5920, YH 529 |
| risedronate | 3176 | Yes | Synthetic organic | 283.001068 | Actonel®, Atelvia®, NE-58095, risedronate sodium |
| zoledronic acid | 3177 | Yes | Synthetic organic | 271.996338 | Aclasta®, CGP-42446, CGP-42446A, Reclast®, zoledronate, Zometa® |
| GW6471 | 3440 | No | Synthetic organic | 619.265808 | GW 6471, GW-6471 |
| GW9662 | 3442 | No | Synthetic organic | 276.030182 | GW 9662, GW-9662 |
| [3H]dexamethasone | 3447 | No | Synthetic organic | 392.199890 | [3H]-dexamethasone |
| [3H]methyltrienolone | 3457 | No | Synthetic organic | 284.177643 | [3H]R1881, [3H]-R1881 |
| R-spondin-1 | 3697 | No | Peptide | 9356.359375 | hRspo1, roof plate-specific spondin-1 |
| [11C]doxepin | 3958 | No | Synthetic organic | 279.162323 | [11C]-doxepin |
| [3H]methyllycaconitine | 3980 | No | Natural product | 682.346558 | |
| vorapaxar | 4047 | Yes | Synthetic organic | 492.242432 | SCH530348, SCH 530348, SCH-530348, Zontivity® |
| dysiherbaine | 4185 | No | Natural product | 304.127045 | |
| kainate | 4231 | No | Natural product | 211.084457 | |
| heme | 4349 | No | Metabolite | 616.177307 | ferroheme, haem |
| sildenafil | 4743 | Yes | Synthetic organic | 475.212738 | Viagra® |
| paroxetine | 4790 | Yes | Synthetic organic | 329.142731 | paroxetine hydrochloride (anhydrous or hemihydrate), Paxil®, Seroxat® |
| aliskiren | 4812 | Yes | Synthetic organic | 551.393433 | CGP-060536B, SPP100, Tekturna® |
| methotrexate | 4815 | Yes | Synthetic organic | 454.171326 | Abitrexate®, amethopterin, Rasuvo® |
| miglitol | 4842 | Yes | Synthetic organic | 207.110672 | Glyset®, N-hydroxylethyl-1-deoxynojirimycin |
| crizotinib | 4903 | Yes | Synthetic organic | 449.118530 | (R)-crizotinib, PF-02341066, PF2341066, PF 2341066, PF-2341066, Xalkori® |
| erlotinib | 4920 | Yes | Synthetic organic | 393.168854 | NSC 718781, OSI 744, OSI-774, R 1415, Tarceva® |
| gefitinib | 4941 | Yes | Synthetic organic | 446.152100 | Iressa®, ZD1839, ZD 1839 |
| αβ-methyleneADP | 5092 | No | Metabolite | 425.050140 | [αβCH2]ADP, α,β-methyleneadenosine 5''-diphosphate (αβmeADP), AMPCP, AMP-CP |
| bestatin | 5151 | No | Synthetic organic | 308.173615 | ubenimex |
| captopril | 5158 | Yes | Synthetic organic | 217.077271 | Capoten®, SQ-14225 |
| fasudil | 5181 | Yes | Synthetic organic | 291.104156 | dihydrochloride fasudil, HA1077, HA1077, HA 1077 |
| GSK690693 | 5196 | No | Synthetic organic | 425.217529 | compound 3g [PMID 18800763], GSK 690693, GSK-690693 |
| Ro20-1724 | 5258 | No | Synthetic organic | 278.163055 | RO-201724 |
| rolipram | 5260 | No | Synthetic organic | 275.152130 | (±)-rolipram, (R,S)-rolipram |
| ruboxistaurin | 5263 | No | Synthetic organic | 468.216156 | LY-333531 |
| SB203580 | 5269 | No | Synthetic organic | 377.099823 | PB 203580, RWJ 64809, SB-203580 |
| SP600125 | 5273 | No | Synthetic organic | 220.063660 | 1,9-pyrazoloanthrone, JNK Inhibitor II |
| sapropterin | 5276 | Yes | Metabolite | 241.117493 | sapropterin dihydrochloride, SUN-0588, T-1401, tetrahydrobiopterin (THB) |
| Y27632 | 5290 | No | Synthetic organic | 247.168457 | ROCK Inhibitor, Y-27632, Y-27632 |
| axitinib | 5659 | Yes | Synthetic organic | 386.120117 | AG013736, AG 013736, AG-013736, Inlyta® |
| selumetinib | 5665 | No | Synthetic organic | 456.000000 | ARRY-142886, ARRY-886, AZD6244, NSC 741O78 |
| BI-2536 | 5666 | No | Synthetic organic | 521.311462 | BI2536, BI 2536 |
| afatinib | 5667 | Yes | Synthetic organic | 485.162994 | BIBW2992, Gilotrif® |
| CHIR-265 | 5674 | No | Synthetic organic | 518.128967 | CHIR265, CHIR 265, RAF265, RAF 265, RAF-265 |
| tofacitinib | 5677 | Yes | Synthetic organic | 312.169861 | CP-690550, CP-690,550, tasocitinib, Xeljanz® |
| dasatinib | 5678 | Yes | Synthetic organic | 487.155731 | BMS 345825, BMS 354825, BMS 35482513, Sprycel® |
| foretinib | 5679 | No | Synthetic organic | 632.244629 | EXEL-2880, GSK1363089, GSK 1363089G, XL 880 |
| GDC-0879 | 5681 | No | Synthetic organic | 334.142975 | AR00341677, AR 00341677, GDC0879, GDC 0879 |
| pictilisib | 5682 | No | Synthetic organic | 513.161682 | GDC0941, GDC-0941, GNE 0941, pictrelisib |
| GW-2580 | 5685 | No | Synthetic organic | 366.169189 | cFMS receptor tyrosine kinase inhibitor, GW2580, GW632580X |
| imatinib | 5687 | Yes | Synthetic organic | 493.259003 | CGP 57148, Gleevec®, Glivec®, STI571 |
| MLN-8054 | 5696 | No | Synthetic organic | 476.085175 | MLN8054, MLN 8054 |
| nilotinib | 5697 | Yes | Synthetic organic | 529.183777 | AMN107, AMN 107, Tasigna® |
| PI-103 | 5701 | No | Synthetic organic | 348.122253 | compound 2 [PMID: 17601739], PI 103, PIK 103 |
| PLX-4720 | 5703 | No | Synthetic organic | 413.041260 | PLX 4720 |
| PP-242 | 5704 | No | Synthetic organic | 308.138550 | PP242, TORKinib |
| tamatinib | 5706 | No | Synthetic organic | 470.171387 | R 406, R-406, R406 free base |
| SGX-523 | 5709 | No | Synthetic organic | 359.095306 | SGX523 |
| bosutinib | 5710 | Yes | Synthetic organic | 529.164734 | Bosulif®, SK 606, SK-606, SKI 606 |
| sorafenib | 5711 | Yes | Synthetic organic | 464.086304 | BAY 43-9006, Nexavar® |
| sunitinib | 5713 | Yes | Synthetic organic | 398.211792 | SU11248, Sutent® |
| tozasertib | 5718 | No | Synthetic organic | 464.210693 | MK 0457, VX 680 |
| VX-745 | 5719 | No | Synthetic organic | 435.988983 | VX 745 |
| BMS compound 16 [PMID:23368907] | 5808 | No | Synthetic organic | 445.161316 | BPTU |
| IL-1 receptor antagonist | 5878 | No | Peptide | 16051.481445 | IL-1ra, interleukin-1 receptor antagonist protein, IRAP |
| vemurafenib | 5893 | Yes | Synthetic organic | 489.072540 | PLX4032, RG7204, Zelboraf® |
| Akt inhibitor X | 5922 | No | Synthetic organic | 344.165527 | 10-DEBC, NCGC00167772-01 |
| aloisine A | 5924 | No | Synthetic organic | 267.137177 | RP107 |
| alsterpaullone | 5925 | No | Synthetic organic | 293.080048 | 9-nitropaullone, NSC-705701 |
| aurora kinase inhibitor III | 5931 | No | Synthetic organic | 413.146332 | 2np8 |
| JNJ-7706621 | 5932 | No | Synthetic organic | 394.065979 | aurora kinase/Cdk inhibitor, JNJ7706621 |
| nintedanib | 5936 | Yes | Synthetic organic | 539.253235 | BIBF1120, BIBF-1120, Ofev®, Vargatef® |
| ERK inhibitor II | 5966 | No | Synthetic organic | 327.123230 | FR180204 |
| GSK-3beta inhibitor VIII | 5979 | No | Synthetic organic | 308.057922 | AR-A014418, GSK-3b inhibitor VIII |
| H-89 | 5983 | No | Synthetic organic | 445.045959 | H 89 |
| indirubin-3'-monoxime | 5989 | No | Synthetic organic | 277.085114 | indirubin-3''-oxime |
| JAK inhibitor I | 5992 | No | Synthetic organic | 309.127747 | CMP-6 |
| LY 294002 | 6004 | No | Synthetic organic | 307.120850 | LY294002, LY-294002, SF 1101 |
| PD 174265 | 6017 | No | Synthetic organic | 370.042938 | 4-aminoquinazoline, 2a, PD-174265 |
| PI 3-Kg inhibitor | 6023 | No | Synthetic organic | 257.025909 | AS 605240, AS-605240 |
| PI 3-Kg inhibitor II | 6024 | No | Synthetic organic | 284.990723 | AS 604850, PI3Kgamma inhibitor, PI 3-Kgamma inhibitor II |
| sirolimus | 6031 | Yes | Synthetic organic | 913.555115 | AY-22989, Rapamune®, rapamycin, WY-090217 |
| seliciclib | 6035 | No | Synthetic organic | 354.216797 | CYC202, CYC-202, roscovitine, (R)-roscovitine, R-roscovitine |
| SB220025 | 6038 | No | Synthetic organic | 338.165527 | 3erk, SB220025, SB-220025 |
| SU9516 | 6045 | No | Synthetic organic | 241.085129 | AC1NRD9P, SU-9516 |
| TGF-beta RI kinase inhibitor | 6050 | No | Synthetic organic | 272.106201 | LY 364947, LY-364947, TbetaR-I inhibitor |
| tivozanib | 6058 | No | Synthetic organic | 454.104401 | AV-951, KRN-951, VEGFR tyrosine kinase inhibitor IV |
| wortmannin | 6060 | No | Natural product | 428.147125 | antibiotic SL-2052, KY 12420 |
| PIK-93 | 6062 | No | Synthetic organic | 389.027069 | PIK93, PIK 93 |
| sitagliptin | 6286 | Yes | Synthetic organic | 407.118073 | Januvia®, MK-0431 |
| vildagliptin | 6310 | Yes | Synthetic organic | 303.194672 | Galvus®, LAF-237, NVP-LAF237 |
| saxagliptin | 6316 | Yes | Synthetic organic | 315.194672 | BMS-477118, Onglyza® |
| linagliptin | 6318 | Yes | Synthetic organic | 472.233521 | BI-1356, Tradjenta® |
| alogliptin | 6319 | Yes | Synthetic organic | 339.169525 | Nesina®, SYR-322, Vipidia® |
| enalaprilat | 6332 | Yes | Synthetic organic | 348.168518 | MK-422 |
| lisinopril | 6360 | Yes | Synthetic organic | 405.226379 | Prinivil®, Zestril® |
| melagatran | 6382 | No | Synthetic organic | 429.237610 | H-319-68 |
| rivaroxaban | 6388 | Yes | Synthetic organic | 435.065582 | BAY 59-7939, Xarelto® |
| apixaban | 6390 | Yes | Synthetic organic | 459.190643 | BMS-562247, Eliquis® |
| LY2886721 | 6475 | No | Synthetic organic | 390.096191 | LY 2886721, LY-2886721 |
| fasiglifam | 6484 | No | Synthetic organic | 524.186890 | TAK875, TAK 875, TAK-875 |
| dabrafenib | 6494 | Yes | Synthetic organic | 519.101074 | GSK2118436, GSK2118436A, Tafinlar® |
| Nωpropyl-L-arginine | 6525 | No | Metabolite | 216.158630 | |
| compound 1 [PMID: 17935984] | 6526 | No | Synthetic organic | 402.122711 | |
| compound 4 [PMID: 18163548] | 6545 | No | Synthetic organic | 477.168213 | |
| DG-051 | 6548 | No | Synthetic organic | 389.139374 | compound 20 [PMID: 19950900] |
| RS-25344 | 6557 | No | Synthetic organic | 375.096741 | RS 25344 |
| JNJ-10311795 | 6563 | No | Synthetic organic | 670.223267 | |
| tranexamic acid | 6573 | Yes | Synthetic organic | 157.110275 | CL-65336, Cyclo-F®, Cyklokapron®, Femstrual®, trans AMCHA |
| 6-aminocaproic acid | 6574 | Yes | Synthetic organic | 131.094635 | Amicar®, EACA, ε-aminocaproic acid |
| donepezil | 6599 | Yes | Synthetic organic | 379.214752 | Aricept®, E-2020 |
| PF-543 | 6623 | No | Synthetic organic | 465.197388 | PF 543, sphingosine kinase 1 Inhibitor II |
| LY134046 | 6631 | No | Synthetic organic | 215.026855 | LY 134046, LY-134046 |
| clorgiline | 6636 | No | Synthetic organic | 271.053070 | chlorgyline, clorgyline |
| HQL-79 | 6662 | No | Synthetic organic | 377.221558 | HQL79, HQL 79 |
| tacrine | 6687 | Yes | Synthetic organic | 198.115692 | CI-970, Cognex®, tetrahydroaminoacridine |
| galantamine | 6693 | Yes | Synthetic organic | 287.152130 | galanthamine, Razadyne® |
| darapladib | 6696 | No | Synthetic organic | 667.273010 | SB 480848, SB-480848 |
| Ro 48-8071 | 6710 | No | Synthetic organic | 447.120911 | compound 2 [PMID: 22533316] |
| HTS01037 | 6736 | No | Synthetic organic | 337.007874 | compound 1 [PMID: 19754198], HTS 01037 |
| MRL20 | 6742 | No | Synthetic organic | 527.155579 | |
| abiraterone | 6745 | Yes | Synthetic organic | 349.240570 | CB 7598, Zytiga® |
| canakinumab | 6773 | Yes | Antibody | 43204.019531 | ACZ885, ACZ 885, Ilaris® |
| tacrolimus | 6784 | Yes | Synthetic organic | 803.481995 | fujimycin, Prograf®, Protopic® |
| acetazolamide | 6792 | Yes | Synthetic organic | 221.988129 | Diamox® |
| ethoxzolamide | 6814 | Yes | Synthetic organic | 258.013275 | Cardrase®, Ethamide®, ethoxazolamide, ethoxyzolamide |
| methazolamide | 6828 | Yes | Synthetic organic | 236.003784 | methenamide, Neptazane® |
| oxiglutatione | 6835 | Yes | Synthetic organic | 612.151978 | glutathione disulfide, Navstel® |
| teriflunomide | 6844 | Yes | Synthetic organic | 270.061615 | A77 1726, Aubagio®, flucyamide, HMR-1726 |
| topiramate | 6849 | Yes | Synthetic organic | 339.098785 | epitomax, MCN-4853, RWJ-17021, Topamax® |
| vorinostat | 6852 | Yes | Synthetic organic | 264.147400 | SAHA, suberoylanilide hydroxamic acid, Zolinza® |
| ibrutinib | 6912 | Yes | Synthetic organic | 440.196075 | Imbruvica®, PCI-32765 |
| LY2811376 | 6936 | No | Synthetic organic | 320.090729 | LY 2811376, LY-2811376 |
| AZ-4217 | 6939 | No | Synthetic organic | 476.201233 | AZ4217, AZ 4217 |
| oxazine 89 | 6944 | No | Synthetic organic | 421.116180 | |
| compound 2 [PMID: 22911925] | 6950 | No | Synthetic organic | 592.308350 | compound 37 [PMID: 22468684] |
| roflumilast | 6962 | Yes | Synthetic organic | 402.034943 | BY-217, BYK-20869, Daliresp®, Daxas® |
| trichostatin A | 7005 | No | Synthetic organic | 302.163055 | |
| BIX-01294 | 7014 | No | Synthetic organic | 490.305634 | BIX01294, BIX 01294 |
| UNC0638 | 7015 | No | Synthetic organic | 509.372986 | |
| bromo-deaza-SAH | 7018 | No | Synthetic organic | 461.036865 | |
| pinometostat | 7019 | No | Synthetic organic | 562.338013 | EPZ5676, EPZ 5676, EPZ-5676 |
| SGC0946 | 7020 | No | Synthetic organic | 617.232544 | |
| AZ505 | 7021 | No | Synthetic organic | 576.226990 | AZ 505, AZ-505 |
| daminozide | 7025 | No | Synthetic organic | 160.084793 | B 995, DMASA, SADH |
| GSK-J1 | 7027 | No | Synthetic organic | 389.185181 | |
| compound 1 [PMID: 22795084] | 7032 | No | Synthetic organic | 302.120117 | compound 1 (allosteric) |
| I-BET-762 | 7033 | No | Synthetic organic | 423.146210 | CS-0717, GSK525762, GSK 525762A, I-BET762 |
| RVX 208 | 7034 | No | Synthetic organic | 371.160706 | QC-216, RVX-000222, RVX-208 |
| exemestane | 7073 | Yes | Metabolite | 296.177643 | Aromasin®, FCE-24304 |
| escitalopram | 7177 | Yes | Synthetic organic | 324.163788 | Cipralex®, Lexapro®, LU-26-054-0 |
| meclofenamic acid | 7219 | Yes | Synthetic organic | 295.016693 | CL-583, INF-4668, Meclomen® |
| pamidronic acid | 7259 | Yes | Synthetic organic | 235.001068 | Aredia®, CGP-23339AE |
| tadalafil | 7299 | Yes | Synthetic organic | 389.137543 | Adcirca®, Cialis®, IC351, IC-351 |
| vardenafil | 7320 | Yes | Synthetic organic | 489.228394 | Levitra® |
| bazedoxifene | 7355 | Yes | Synthetic organic | 470.256958 | Conbriza®, TSE-424, Viviant®, WAY-140424 |
| JDTic | 7362 | No | Synthetic organic | 465.299133 | compound 10 [PMID: 11495579] |
| EPZ004777 | 7377 | No | Synthetic organic | 539.322021 | EPZ 004777, EPZ-004777 |
| dinaciclib | 7379 | No | Synthetic organic | 396.227386 | SCH727965 |
| palbociclib | 7380 | Yes | Synthetic organic | 447.238281 | Ibrance®, PD0332991, PD-0332991 |
| ceritinib | 7397 | Yes | Synthetic organic | 557.222717 | compound 15b [PMID 23742252], LDK378, NVP-LDK378-NX, Zykadia® |
| raltitrexed | 7403 | Yes | Synthetic organic | 459.133820 | ICI-D-1694, Tomudex®, ZD1694 |
| tolrestat | 7404 | Yes | Synthetic organic | 357.064636 | Alredase®, AY-27773, AY-27,773 |
| eribaxaban | 7408 | No | Synthetic organic | 484.131348 | PD-0348292 |
| lidorestat | 7411 | No | Synthetic organic | 376.049347 | IDD-000676-01, IDD-676 |
| sorbinil | 7415 | No | Synthetic organic | 236.059723 | CP-45634 |
| tanaproget | 7416 | No | Synthetic organic | 297.093597 | NSP-989 |
| zenarestat | 7418 | No | Synthetic organic | 439.957489 | FK-366, FR-74366 |
| zopolrestat | 7419 | No | Synthetic organic | 419.055145 | CP-73850 |
| lenvatinib | 7426 | Yes | Synthetic organic | 426.109497 | E 7080, ER-203492-00, Lenvima® |
| budesonide | 7434 | Yes | Natural product | 430.235535 | Entocort®, Pulmicort®, S-1320, Uceris® |
| ulipristal acetate | 7460 | Yes | Natural product | 475.272247 | CDB-2914, EllaOne®, VA2914 |
| loratinib | 7476 | No | Synthetic organic | 433.166260 | PF-06463922 |
| ischemin | 7506 | No | Synthetic organic | 335.093964 | MS120 |
| MS436 | 7509 | No | Synthetic organic | 383.105225 | |
| (+)-JQ1 | 7511 | No | Synthetic organic | 456.138672 | |
| MS417 | 7512 | No | Synthetic organic | 414.091736 | |
| GW841819X | 7514 | No | Synthetic organic | 423.169525 | KB-75882 |
| BzT-7 | 7515 | No | Synthetic organic | 323.093781 | |
| compound 4d [PMID: 21851057] | 7516 | No | Synthetic organic | 261.136505 | |
| I-BET151 | 7518 | No | Synthetic organic | 415.164429 | GSK1210151A |
| olaparib | 7519 | Yes | Synthetic organic | 434.175415 | AZD2281, AZD-2281, Lynparza® |
| PFI-1 | 7523 | No | Synthetic organic | 347.093964 | HY-16586, PF-6405761, QCR-192 |
| XD14 | 7524 | No | Synthetic organic | 421.167145 | |
| XD1 | 7525 | No | Synthetic organic | 385.152527 | colchicein, colchiceine, NSC33411 |
| isoxazole azepine compound 3 | 7527 | No | Synthetic organic | 399.080811 | |
| compound 15 (Hay et al., 2013) | 7528 | No | Synthetic organic | 305.141571 | |
| SGC-CBP30 | 7529 | No | Synthetic organic | 508.224121 | |
| lasofoxifene | 7542 | No | Synthetic organic | 413.235474 | lasofoxifene tartrate |
| compound 15a [PMID: 22464687] | 7578 | No | Synthetic organic | 538.187073 | |
| cobimetinib | 7626 | Yes | Synthetic organic | 531.063049 | cobimetinib butyrate, cobimetinib fumarate, Cotellic®, GDC-0973, XL518, XL-518 |
| AEE788 | 7643 | No | Synthetic organic | 440.268860 | AEE 788, NVP-AEE788 |
| AZD6703 | 7687 | No | Synthetic organic | 417.216461 | AZ12012199, AZ 12012199, AZ-12012199, AZD 6703, AZD-6703 |
| AZD5363 | 7709 | No | Synthetic organic | 428.172760 | AZD 5363, AZD-5363, cc-638 |
| AZD7762 | 7713 | No | Synthetic organic | 362.121277 | AZD 7762, AZD-7762 |
| saracatinib | 7731 | No | Synthetic organic | 541.209167 | AZD0530, AZD-0530 |
| rucaparib | 7736 | No | Synthetic organic | 323.143402 | AG014699, AG-014699, AG14447, PF-01367338 |
| brigatinib | 7741 | No | Synthetic organic | 528.216919 | AP26113, AP-26113, compound 11q [PMID: 27144831] |
| CH5132799 | 7743 | No | Synthetic organic | 377.127014 | CH 5132799, CH-5132799 |
| ME bromodomain inhibitor | 7807 | No | Synthetic organic | 424.130219 | |
| ET bromodomain inhibitor | 7808 | No | Synthetic organic | 438.145874 | |
| compound 1 [PMID: 25408830] | 7809 | No | Synthetic organic | 205.085129 | BAS 08314227 |
| compound 3 [PMID: 25408830] | 7811 | No | Synthetic organic | 394.200500 | |
| RXP470.1 | 7812 | No | Synthetic organic | 816.096252 | |
| talmapimod | 7817 | No | Synthetic organic | 512.199036 | SCIO-469 |
| PH-797804 | 7818 | No | Synthetic organic | 476.054718 | |
| BMS-582949 | 7838 | No | Synthetic organic | 406.211731 | BMS582949, BMS 582949, PS540446, PS 540446, PS-540446 |
| andarine | 7849 | No | Synthetic organic | 441.114777 | GTX007, GTX-007 |
| sacubitrilat | 7858 | No | Synthetic organic | 383.173279 | LBQ657, LBQ-657 |
| MLN-4760 | 7866 | No | Synthetic organic | 427.106567 | MLN4760, MLN 4760 |
| roniciclib | 7874 | No | Synthetic organic | 430.128632 | BAY 1000394, BAY 10-00394, KB-145902 |
| BGJ-398 | 7877 | No | Synthetic organic | 559.186523 | BGJ398, BGJ 398, NVP-BGJ398 |
| ipatasertib | 7887 | No | Synthetic organic | 457.224457 | GDC-0068 |
| apitolisib | 7888 | No | Synthetic organic | 498.216156 | GDC0980, GDC-0980, RG7422, RG-7422 |
| entospletinib | 7889 | No | Synthetic organic | 411.180756 | GS-9973 |
| RXP-407 | 7894 | No | Synthetic organic | 498.187958 | RXP 407 |
| bafetinib | 7906 | No | Synthetic organic | 576.257263 | INNO-406, Lyn-IN-1, NS-187 |
| 7-hydroxystaurosporine | 7907 | No | Synthetic organic | 482.195404 | UCN 01, UCN-01 |
| filgotinib | 7913 | No | Synthetic organic | 425.152161 | GLPG0634 |
| PFI-3 | 7915 | No | Synthetic organic | 321.147736 | compound 16 [PMID: 27115555], IN2080, PF-06687252, PFI 3 |
| NMS-P937 | 7918 | No | Synthetic organic | 532.215820 | NMS1286937, NMS-1286937, NMS P937 |
| PD 0325901 | 7935 | No | Synthetic organic | 481.995026 | PD0325901, PD-0325901 |
| PF-04691502 | 7936 | No | Synthetic organic | 425.206299 | PF 04691502 |
| danusertib | 7937 | No | Synthetic organic | 474.237946 | PHA 739358, PHA-739358 |
| milciclib | 7938 | No | Synthetic organic | 460.269897 | PHA848125, PHA 848125, PHA-848125 |
| refametinib | 7942 | No | Synthetic organic | 572.008972 | BAY-869766, RDEA119 |
| sotrastaurin | 7946 | No | Synthetic organic | 438.180420 | AEB071, AEB-071 |
| volasertib | 7947 | No | Synthetic organic | 618.400574 | BI 6727 |
| BMS-754807 | 7952 | No | Synthetic organic | 461.208771 | BMS754807, BMS 754807 |
| BMS-911543 | 7954 | No | Synthetic organic | 432.238617 | BMS911543, BMS 911543 |
| PP121 | 8013 | No | Synthetic organic | 319.154541 | PP 121, PP-121 |
| CHIR-99021 | 8014 | No | Synthetic organic | 464.103149 | CHIR99021, CHIR 99021, CT99021, CT-99021 |
| tipifarnib | 8025 | No | Synthetic organic | 488.117065 | R115777, R-115777 |
| PF-4708671 | 8036 | No | Synthetic organic | 390.177979 | PF4708671 |
| BI-D1870 | 8038 | No | Synthetic organic | 391.181976 | |
| PF-3644022 | 8045 | No | Synthetic organic | 374.120117 | PF3644022, PF 3644022 |
| PF-4800567 | 8050 | No | Synthetic organic | 359.114899 | PF4800567 |
| KH-CB19 | 8055 | No | Synthetic organic | 337.038483 | KH CB19 |
| SCH772984 | 8056 | No | Synthetic organic | 587.275696 | SCH-772984 |
| XMD8-92 | 8057 | No | Synthetic organic | 474.237946 | XMD 8-92 |
| AZD6482 | 8059 | No | Synthetic organic | 408.179749 | AZD 6482, AZD-6482 |
| MK-5108 | 8061 | No | Synthetic organic | 461.097626 | MK5108, VX689, VX-689 |
| MRT67307 | 8062 | No | Synthetic organic | 464.289978 | MRT-67307 |
| CGI1746 | 8066 | No | Synthetic organic | 579.284546 | CGI 1746, CGI-1746 |
| NG-25 | 8074 | No | Synthetic organic | 537.235168 | NG25 |
| 5Z-7-oxozeaenol | 8077 | No | Synthetic organic | 362.136566 | (5Z)-7-oxozeaenol, FR-148083, LL-Z1640-2 |
| XL413 | 8113 | No | Synthetic organic | 290.069641 | BMS863233, BMS-863233, XL-413 |
| CX-4945 | 8126 | No | Synthetic organic | 349.061798 | CX4945, CX 4945 |
| compound 1a [PMID: 24900749] | 8128 | No | Synthetic organic | 361.165100 | |
| compound 10 [PMID: 23147077] | 8133 | No | Synthetic organic | 359.174622 | |
| compound 66 [PMID: 19788238] | 8141 | No | Synthetic organic | 417.143707 | |
| balanol | 8142 | No | Natural product | 550.158752 | azepinostatin |
| RKI-1447 | 8152 | No | Synthetic organic | 326.083740 | compound 5g [PMID 23275831], RKI1447 |
| compound 20 [PMID: 22136433] | 8156 | No | Synthetic organic | 362.070129 | |
| compound 7 [PMID: 22464456] | 8172 | No | Synthetic organic | 375.121704 | thienopyrazolylindole inhibitor 477 |
| compound 31 [PMID: 23374866] | 8174 | No | Synthetic organic | 366.169189 | |
| compound 16 [PMID: 17480064] | 8177 | No | Synthetic organic | 340.132416 | |
| SB-431542 | 8216 | No | Synthetic organic | 384.122253 | compound 14, SB431542 |
| IOX1 | 8230 | No | Synthetic organic | 189.042587 | |
| OICR-9429 | 8231 | No | Synthetic organic | 555.245728 | |
| GSK2801 | 8233 | No | Synthetic organic | 371.119141 | KB-146016 |
| (R)-PFI-2 | 8235 | No | Synthetic organic | 499.155273 | |
| LLY-507 | 8239 | No | Synthetic organic | 574.341980 | |
| CPHPC | 8256 | No | Synthetic organic | 340.163422 | compound 52 [PMID 14998318], GSK2315698, Ro 63-8695 |
| forodesine | 8272 | No | Synthetic organic | 267.109344 | BCX1777, BCX-1777, Fodosine® (proposed trade name), immucillin H, immucillin-H |
| niraparib | 8275 | No | Synthetic organic | 320.163696 | compound 56 [PMID 19873981], MK 4827, MK-4827 |
| EPZ015666 | 8287 | No | Synthetic organic | 383.195740 | EPZ 015666, EPZ-015666 |
| safinamide | 8291 | Yes | Synthetic organic | 302.143066 | EMD 1195686, EMD-1195686, Xadago® |
| AM7 | 8292 | No | Synthetic organic | 610.259155 | AM 7, AM-7, pyrimidone, 22 |
| tepotinib | 8293 | No | Synthetic organic | 492.227386 | compound 22 [PMID: 25736998], EMD 1214063, EMD-1214063, MSC2156119, MSC2156119J |
| PF-06454589 | 8295 | No | Synthetic organic | 284.138550 | compound 28 [PMID: 25353650] |
| compound 1 (Xiao et al. 2014) | 8301 | No | Synthetic organic | 368.015289 | indole sufonamide 1 |
| compound 1 [PMID: 25719566] | 8302 | No | Synthetic organic | 354.159302 | |
| compound 7d [PMID: 25703523] | 8304 | No | Synthetic organic | 319.006866 | |
| compound 7 [PMID: 25719566] | 8306 | No | Synthetic organic | 358.165436 | |
| decernotinib | 8309 | No | Synthetic organic | 392.157257 | adelatinib, VRT-831509, VX-509 |
| fadrozole | 8311 | Yes | Synthetic organic | 223.110947 | Afema®, CGS 16949 A, CGS-16949A, FAD 286, FAD-286 |
| talazoparib | 8313 | No | Synthetic organic | 380.119720 | BMN-673 |
| navitoclax | 8319 | No | Synthetic organic | 973.295532 | ABT 263, ABT-263 |
| PBD150 | 8356 | No | Synthetic organic | 320.130707 | compound 53 [PMID 16420052] |
| tafamidis | 8378 | Yes | Synthetic organic | 306.980286 | FX-1006 |
| I-BRD9 | 8397 | No | Synthetic organic | 497.105469 | compound 45 [PMID 25856009], GSK602 |
| UK-432,097 | 8420 | No | Synthetic organic | 777.371094 | |
| ME0328 | 8468 | No | Synthetic organic | 322.155548 | compound 5b [PMID 24188023], ME-0328 |
| AZ628 | 8475 | No | Synthetic organic | 451.200836 | AZ 628, AZ-628 |
| AZD2858 | 8478 | No | Synthetic organic | 453.158295 | AZD 2858, AZD-2858, compound 18 [PMID: 22489897] |
| SGC707 | 8552 | No | Synthetic organic | 298.142975 | |
| LP99 | 8572 | No | Synthetic organic | 515.164551 | compound 60 [PMID: 25864491] |
| PFI-4 | 8575 | No | Synthetic organic | 380.184845 | |
| ONO-3080573 | 8588 | No | Synthetic organic | 518.230469 | ON3 |
| ONO-9780307 | 8589 | No | Synthetic organic | 521.241333 | ON7, ONO9780307 |
| ONO-9910539 | 8590 | No | Synthetic organic | 563.251892 | ON9 |
| NTE-1 | 8596 | No | Synthetic organic | 733.420349 | |
| NTE-2 | 8597 | No | Synthetic organic | 735.415955 | |
| quinoline 2 | 8599 | No | Synthetic organic | 398.180573 | |
| MI-1148 | 8601 | No | Synthetic organic | 763.471802 | 4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide, para-guanidinomethyl-Phac-R-Tle-R-Amba |
| GSK2194069 | 8605 | No | Synthetic organic | 428.184845 | GSK 2194069, GSK-2194069 |
| o-F-amidine | 8625 | No | Synthetic organic | 338.139038 | compound 17 [PMID: 21882827] |
| compound 15 [PMID: 22017539] | 8636 | No | Synthetic organic | 446.159027 | 4UF |
| AK198 | 8637 | No | Synthetic organic | 352.062622 | |
| galeterone | 8638 | No | Synthetic organic | 388.251465 | TOK-001, VN/124-1 |
| compound 60 [PMID: 26155854] | 8641 | No | Synthetic organic | 365.185181 | |
| IK-862 | 8680 | No | Synthetic organic | 433.200165 | compound 32, IK862 |
| compound 16 [PMID: 23412139] | 8698 | No | Synthetic organic | 372.081146 | 0V6 |
| isatuximab | 8719 | No | Antibody | 46781.417969 | ch38SB19, hu38SB19, SAR650984, SAR-650984 |
| compound 10b [PMID: 26222319] | 8731 | No | Synthetic organic | 248.116089 | |
| compound 33 [PMID: 26230603] | 8732 | No | Synthetic organic | 420.183136 | |
| resveratrol | 8741 | No | Natural product | 228.078644 | 3,4'',5-stilbenetriol, 3,5,4''-trihydroxystilbene, trans-resveratrol |
| compound 6a [PMID: 18942826] | 8744 | No | Synthetic organic | 167.021851 | lutidinic acid |
| ajmalicine | 8746 | Yes | Natural product | 352.178680 | delta-yohimbine, raubasine, rauvasan, rauwolfia alkaloid |
| compound 39a [PMID: 15634016] | 8754 | No | Synthetic organic | 174.079315 | |
| A1120 | 8792 | No | Synthetic organic | 392.134766 | A 1120, compound 33 [PMID: 24835984] |
| ritonavir | 8804 | Yes | Synthetic organic | 720.312744 | A-84538, ABBOTT-84538, ABT 538, ABT-538, Norvir® |
| compound 82 [PMID: 21332118] | 8805 | No | Synthetic organic | 476.017975 | |
| compound 30 [PMID: 15953724] | 8812 | No | Synthetic organic | 539.202759 | |
| compound 1 [PMID: 21882820] | 8831 | No | Synthetic organic | 317.934265 | |
| torin 2 | 8839 | No | Synthetic organic | 432.119781 | compound 3, torin2, Torin-2 |
| CGS-27023A | 8846 | No | Synthetic organic | 393.135834 | CGS27023A, CGS 27023A, MMI270 |
| BLU9931 | 8862 | No | Synthetic organic | 508.106903 | |
| cobalt protoporphyrin IX | 8902 | No | Synthetic organic | 619.175537 | protoporphyrin IX containing Co |
| GSK5182 | 8908 | No | Synthetic organic | 417.230408 | GSK 5182, GSK-5182 |
| AMG319 | 8917 | No | Synthetic organic | 385.145111 | AMG 319, AMG-319 |
| PF-3758309 | 8937 | No | Synthetic organic | 490.226318 | compound 1 [PMID: 24432870], example 114 [US8530652], PF-03758309, PF3758309 |
| FRAX597 | 8939 | No | Synthetic organic | 557.176453 | |
| LY3009120 | 8943 | No | Synthetic organic | 424.238678 | LY-3009120 |
| BI-9564 | 8950 | No | Synthetic organic | 353.173950 | |
| BAY-598 | 8953 | No | Synthetic organic | 524.094177 | |
| GSK591 | 8954 | No | Synthetic organic | 380.221222 | EPZ015866, GSK3203591 |
| MS023 | 8955 | No | Synthetic organic | 287.199768 | |
| BGB-283 | 8958 | No | Synthetic organic | 478.125275 | compound 2.2b |
| omipalisib | 8974 | No | Synthetic organic | 505.102020 | GSK2126458, GSK 2126458, GSK-2126458 |
| compound 9 [PMID: 23472952] | 9017 | No | Synthetic organic | 286.206390 | arginase inhibitor 1 |
| NLG919 | 9019 | No | Synthetic organic | 282.173218 | GDC-0919, NLG 919, RG6078 |
| compound 1a [PMID: 25692029] | 9091 | No | Synthetic organic | 418.165771 | |
| CPI-0610 | 9120 | No | Synthetic organic | 365.093109 | compound 10 [PMID: 26815195] |
| GSK583 | 9134 | No | Synthetic organic | 398.121277 | GSK''583 |
| SB-674042 | 9136 | No | Synthetic organic | 448.136932 | SB674042, SB 674042 |
| compound 14j [PMID: 27050842] | 9147 | No | Synthetic organic | 284.200104 | |
| rebastinib | 9173 | No | Synthetic organic | 553.223755 | DCC 2036, DCC-2036, DP-1919 |
| WZ4002 | 9176 | No | Synthetic organic | 494.183319 | |
| 2'3'-cGAMP | 9207 | No | Synthetic organic | 675.107788 | cyclic [G(2'',5'')pA(3'',5'')p], cyclic GMP-AMP, Cyclic guanosine monophosphate-adenosine monophosphate |
| GDC-0994 | 9229 | No | Synthetic organic | 440.116394 | example 39 [WO2013130976], ravoxertinib (proposed INN) |
| compound 4g [PMID: 22220592] | 9236 | No | Synthetic organic | 277.132751 | Example XCII [US20160175314] |
| BIIB021 | 9258 | No | Synthetic organic | 318.099579 | |
| SNX0723 | 9260 | No | Synthetic organic | 399.195831 | |
| GDC-0834 | 9263 | No | Synthetic organic | 596.256958 | GDC 0834 |
| MPS1-IN-1 | 9271 | No | Synthetic organic | 535.225342 | |
| TAK-715 | 9328 | No | Synthetic organic | 399.140533 | compound 8h [PMID: 16162000], TAK0715, TAK 715 |
| harmine | 9352 | No | Synthetic organic | 212.094971 | |
| GNE-3511 | 9355 | No | Synthetic organic | 440.213623 | compound 26 [PMID: 25341110], GNE3511, GNE 3511 |
| AZD7545 | 9362 | No | Synthetic organic | 478.057709 | AZD-7545 |
| LGB321 | 9367 | No | Synthetic organic | 457.172546 | |
| PF-670462 | 9371 | No | Synthetic organic | 337.170288 | |
| VTX-11e | 9375 | No | Synthetic organic | 499.097809 | 11e [PMID: 19827834], VX-11e |
| JNK inhibitor 9l | 9377 | No | Synthetic organic | 502.224091 | JNK-9L |
| PIK-III | 9379 | No | Synthetic organic | 319.154541 | |
| PF-562271 | 9381 | No | Synthetic organic | 507.130035 | PF-00562271, PF-562,271, PF-562,271-26 |
| GSK143 | 9388 | No | Synthetic organic | 342.180420 | compound 20 [PMID: 21903390] |
| MPI-0479605 | 9399 | No | Synthetic organic | 407.243347 | |
| AZ3146 | 9400 | No | Synthetic organic | 452.253601 | |
| NMS-P715 | 9401 | No | Synthetic organic | 676.309692 | compound 15 [PMID: 21723120], NMSP715 |
| Ro3280 | 9403 | No | Synthetic organic | 543.276917 | compound 7 [PMID: 22172702] |
| PP2 | 9404 | No | Synthetic organic | 301.109436 | |
| BAY1161909 | 9427 | No | Synthetic organic | 559.168945 | empesertib (proposed INN), Mps1-IN-5 |
| BMS-681 | 9430 | No | Synthetic organic | 491.287201 | compound 13d [PMID: 25893046] |
| CCR2-RA-[R] | 9431 | No | Synthetic organic | 351.103760 | analog 49 (Dasse et al., 2007) |
| PF-06263276 | 9432 | No | Synthetic organic | 566.255371 | compound 2 [PMID: 27983835], PF0626327, PF 0626327 |
| compound 12 [PMID: 27448772] | 9453 | No | Synthetic organic | 455.162720 | |
| MLKL compound 1 | 9513 | No | Synthetic organic | 573.140625 | compound 23 [PMID: 15990302], GW806742X |
| GSK8814 | 9521 | No | Synthetic organic | 527.270813 | |
| OF-1 | 9523 | No | Synthetic organic | 439.020142 | OF 1 |
| A-395 | 9525 | No | Synthetic organic | 486.246490 | |
| GSK2982772 | 9554 | No | Synthetic organic | 377.148804 | compound 5 [PMID: 28151659] |
| AZ3451 | 9560 | No | Synthetic organic | 570.126648 | |
| NNC0640 | 9574 | No | Synthetic organic | 573.215820 | |
| AZ8838 | 9585 | No | Synthetic organic | 234.116837 | |
| Peptide 5 [PMID: 28562585] | 9588 | No | Peptide | 434.209412 | |
| AM11542 | 9612 | No | Synthetic organic | 448.197693 | |
| PF-2545920 | 9617 | No | Synthetic organic | 392.163696 | MP-10, PF-02545920, PF2545920, pyrazole 9 [PMID: 19630403] |
| AMG-8718 | 9639 | No | Synthetic organic | 442.144104 | |
| K-8794 | 9651 | No | Synthetic organic | 682.257324 | |
| GSK866 | 9653 | No | Synthetic organic | 561.095764 | |
| Takinib | 9655 | No | Synthetic organic | 322.142975 | |
| PF-06650833 | 9667 | No | Synthetic organic | 361.143799 | compound 40 [PMID: 28498658], PF06650833 |
| necrostatin-1s | 9751 | No | Synthetic organic | 277.061798 | nec-1s, necrostatin 2 racemate |
| NNC1702 | 9760 | No | Peptide | 3097.845459 | des-His1-[Glu9, Lys24(4 X γGlu), Leu27]glucagon |
| PIM447 | 9790 | No | Synthetic organic | 440.182404 | compound 8 [PMID: 26505898], LGH447, LGH-447, PIM-447 |
| compound 7f [PMID: 29191554] | 9794 | No | Synthetic organic | 593.204102 | example 32 [WO2011078413] |
| (S)-23 [PMID: 27933945] | 9796 | No | Synthetic organic | 394.136261 | |
| RO5508887 | 9821 | No | Synthetic organic | 389.109955 | RG7129 |
| alvespimycin | 9828 | No | Synthetic organic | 616.347229 | 17-DMAG |
| tanzisertib | 9836 | No | Synthetic organic | 448.183472 | CC930, CC-930, compound 1 [PMID: 22244937] |
| merestinib | 9841 | No | Synthetic organic | 552.172119 | LY2801653, LY-2801653 |
| BMS-986142 | 9857 | No | Synthetic organic | 572.223511 | BMS986142, compound 14f [PMID: 27583770] |
| TAK-828F | 9867 | No | Synthetic organic | 509.232605 | compound 10 [PMID: 29510038], TAK-828, TAK828F |
| teneligliptin | 9906 | Yes | Synthetic organic | 426.220184 | compound 8g [PMID: 22959556], MP513, MP-513, Teneli |
| CH4987655 | 9910 | No | Synthetic organic | 565.032166 | compound 24 [PMID: 21316218], RO4987655 |
| TAK-733 | 9911 | No | Synthetic organic | 504.010620 | compound 17 [PMID: 21310613], example 18 [US8470837], TAK733 |
| pamapimod | 9915 | No | Synthetic organic | 406.145264 | compound 2b [PMID: 21375264], Ro4402257, Ro 4402257, Ro-4402257 |
| trifarotene | 9962 | No | Synthetic organic | 459.240967 | CD5789, compound 15b [PMID: 29706423] |
| compound 27 [PMID: 29775310] | 9973 | No | Synthetic organic | 549.214294 | |
| compound 11 [PMID: 26431428] | 9989 | No | Synthetic organic | 392.232452 | |
| PF-04965842 | 9991 | No | Synthetic organic | 323.141602 | compound 25 [PMID: 29298069], PF04965842 |
| BMS-509744 | 9994 | No | Synthetic organic | 623.260010 | BMS509744, BMS 509744, compound 3 [PMID:16682193] |
| DSM421 | 10020 | No | Synthetic organic | 358.096527 | |
| RO3306 | 10095 | No | Synthetic organic | 351.050018 | RO-3306 |
| halofuginone | 10153 | No | Synthetic organic | 413.014191 | |
| BMS-823778 | 10158 | No | Synthetic organic | 327.113831 | compound 2 [Li et al., 2018] |
| tomivosertib | 10167 | No | Synthetic organic | 340.164764 | compound 23 [PMID: 29526098], eFT508, eFT-508 |
| compound 28 [PMID: 30624936] | 10195 | No | Synthetic organic | 403.200836 |