synpharm
A database of ligand-responsive protein sequences...

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]QNB318NoSynthetic organic337.167786[3H]quinuclidinylbenzilate
staurosporine346NoNatural product466.200500antibiotic 230, antibiotic AM-2282, (+)-staurosporine
tiotropium367YesSynthetic organic392.099030BA-679-BR, Spiriva®
CGS 21680375NoSynthetic organic499.217926CGS21680, CGS-21680
NECA377NoSynthetic organic308.1232915''-N-ethylcarboxamidoadenosine
xanthine amine congener404NoSynthetic organic428.217194papaxac
ZM-241385405NoSynthetic organic337.128723ZM241385, ZM-241,385
caffeine407YesNatural product194.080368methyltheobromine
[3H]CGS 21680424NoSynthetic organic499.217926[3H]-CGS21680
[3H]NECA425NoSynthetic organic308.123291[3H]adenosine-5''-(N-ethylcarboxamide)
[3H]XAC432NoSynthetic organic428.217194[3H]xanthine amine congener
(-)-adrenaline479YesMetabolite183.089539adrenalin, Auvi-Q®, Epipen®, l-adrenaline, L-epinephrine, levoepinephrine
ICI 118551543NoSynthetic organic277.204193ICI-118551, ICI-118,551
alprenolol563YesSynthetic organic249.172882Atenenol®
timolol565YesSynthetic organic316.156921Timoptic®
carazolol569YesSynthetic organic298.168121BM-51052, conducton, corazolol
chenodeoxycholic acid608YesMetabolite392.292664Chenix®, chenodeoxycholate, Chenodiol®
Ca2+707NoInorganic40.077999calcium ion, Ca2+
[3H]maraviroc803NoSynthetic organic513.327942[3H]UK 427,857, [3H]UK-427,857
maraviroc806YesSynthetic organic513.327942Celsentri®, Selzentry®, UK 427857, UK-427,857
urocortin 1919NoPeptide1797.038086
eticlopride966NoSynthetic organic340.155365
17β-estradiol1013YesMetabolite272.177643estrogen, oestrodiol, oestrogen
cyclosporin A1024YesPeptide1201.841309ciclosporin, cyclosporine, cyclosporine A, Neoral®, Sandimmune®
rosiglitazone1056YesSynthetic organic357.114716Avandia®, rosiglizole
GABA1067NoMetabolite103.0633324-aminobutyric acid, γ-amino butyric acid, gamma-aminobutyric acid
CGP 353481069NoSynthetic organic225.112991CGP35348, CGP-35348
CGP 54626A1070NoSynthetic organic407.118378CGP54626, CGP-54626
SCH 509111075NoSynthetic organic173.105194SCH50911, SCH-50911
baclofen1084YesSynthetic organic213.055649Baclon®, Kemstro®, Lioresal®
CGP 463811086NoSynthetic organic219.138809CGP46381, CGP-46381
phaclofen1091NoSynthetic organic249.032150
doxepin1225YesSynthetic organic279.162323Deptran®, P-3693A, Sinequan®
β-FNA1631NoSynthetic organic454.210388beta-funaltrexamine, naltrexone fumarate methyl ester
naltrindole1641NoSynthetic organic414.194336
SB 6121111693NoSynthetic organic417.162628SB612111, SB-612111
2MeSADP1710NoMetabolite473.0171512-MeSADP, 2-methylthio-adenosine-5''-diphosphate, 2-methylthio-ADP
MRS25001724NoSynthetic organic560.967529MRS 2500, MRS-2500
[3H]2MeSADP1763NoMetabolite473.017151[3H]2-methylthio-ADP
indomethacin1909YesSynthetic organic357.076782Indocid®, Indocin®
cyclic GMP2347NoMetabolite345.0474243'',5''-cyclic GMP, 3'',5''-guanosine monophosphate, cyclic guanosine monophosphate
cyclic AMP2352NoMetabolite329.0525213'' 5''-adenosine monophosphate, 3'',5''-cyclic AMP, cyclic adenosine monophosphate, cyclic AMP
progesterone2377YesMetabolite314.224579Prometrium®, Utrogestan®
mefenamic acid2593YesSynthetic organic241.110275CI-473, CN-35355, INF-3355, Ponstan®, Ponstel®
triiodothyronine2634YesMetabolite650.7900393,5,3''-triodo-L-thyronine, Cytomel®, liothyronine sodium
T42635YesMetabolite776.686707Eltroxin®, levothyroxine, levothyroxine sodium, L-thyroxine
tiratricol2637NoMetabolite621.7634893,3'',5-triiodothyroacetic acid, TRIAC
KB-1412638NoSynthetic organic354.042572KB141, KB 141
sobetirome2639NoSynthetic organic328.167450GC-1, GC 1 compound, QRX-431
BMS6142643NoSynthetic organic448.178680BMS 614, BMS-614
tretinoin2644YesMetabolite300.208923all-trans-retinoic acid (ATRA), Avita®, Renova®
alitretinoin2645YesMetabolite300.2089239-cis-retinoic acid, Panretin®, Toctino®
TTNPB2646NoSynthetic organic348.208923
Ro 40-60552647NoSynthetic organic351.183441AM580, AM 580, CD-336, Ro406055
BMS2703942653NoSynthetic organic399.184601BMS 270394, BMS-270394, BMS 961
GW4095442656NoSynthetic organic510.215485GW 409544
ragaglitazar2664NoSynthetic organic419.173279
pirinixic acid2666NoSynthetic organic323.049530WY14643
farglitazar2672NoSynthetic organic546.215454GI-262570X
GW0742X2686NoSynthetic organic471.058594GW0742, GW-0742X
L-7834832688NoSynthetic organic487.083191F3MethylAA
L-1650412691NoSynthetic organic402.167847L165041
GW00722695NoSynthetic organic614.317810GW 0072
nTzDpa2699NoSynthetic organic427.020050
netoglitazone2707NoSynthetic organic381.083496MCC555, MCC-555, RWJ-241947
diclofenac2714YesSynthetic organic295.016693Cataflam®, CGP-45840B, GP-45840, Voltaren®, Voltarol®
GW24332716NoSynthetic organic580.109863GW 2433, GW-2433
cholesterol2718NoMetabolite386.354858cholest-5-en-3β-ol
cholesterol sulphate2738NoMetabolite466.311676cholesteryl sulfate
GW40642743NoSynthetic organic541.061462C412815, GW-4064
fexaramine2744NoSynthetic organic496.272583
24(S), 25-epoxycholesterol2751NoMetabolite400.33413724,25-epoxy-cholesterol
GW39652754NoSynthetic organic581.194458C473027, GW 3965, GW-3965
T09013172755NoSynthetic organic481.039429T 0901317, T-0901317
CITCO2758NoSynthetic organic434.976654
androstenol2761NoMetabolite274.229675androst-16-en-3-ol
SR128132763NoSynthetic organic504.240570SR 12813, SR-12813
hyperforin2764NoNatural product536.386536
dexamethasone2768YesSynthetic organic392.199890Decadron®, desametasone, fluormethylprednisolone
lexacalcitol2775NoSynthetic organic460.3552551α,25-(OH),-20-epi-22-oxa-24,26,27-trishomovitamin D, KH1060
seocalcitol2777NoSynthetic organic454.344696EB1089, EB 1089
calcipotriol2778YesSynthetic organic412.297760Dovonex®, MC903
1,25-dihydroxyvitamin D32779YesMetabolite416.329041Calcijex®, calcitriol, Rocaltrol®
diethylstilbestrol2801YesMetabolite268.146332stilboestrol
bexarotene2807YesSynthetic organic348.208923LGD1069, Targrexin®
4-hydroxytamoxifen2817NoSynthetic organic387.2198184-OHT, afimoxifene
estrone2818YesMetabolite270.161987Aquest®, Kestrone®, oestrone
raloxifene2820YesSynthetic organic473.166077Evista®, LY-156758, raloxifene hydrochloride
estriol2821YesMetabolite288.172546Trimesta®
R,R-THC2822NoSynthetic organic320.177643
genistein2826NoSynthetic organic270.0528265,7,4''-trihydroxyisoflavone
dihydrotestosterone2856NoMetabolite290.2245795α-dihydrotestosterone, androstanolone, stanolone
methyltrienolone2857NoSynthetic organic284.177643R1881
hydroxyflutamide2862NoSynthetic organic292.067078
cyproterone acetate2865YesSynthetic organic416.175446Androcur®, Cyprostat®, SH-714
cortisol2868YesMetabolite362.209320Acticort®, Plenadren®
deoxycorticosterone2871NoMetabolite330.21948211-deoxycorticosterone, 21-hydroxyprogesterone
aldosterone2872NoMetabolite360.193665
spironolactone2875YesSynthetic organic416.202118Aldactone®, spiractin, spirotone
levonorgestrel2881YesSynthetic organic312.208923l-norgestrel, Norplant®
asoprisnil2883NoSynthetic organic449.256622J867, J-867
25-hydroxycholesterol2885NoMetabolite402.34979225-OHC
suvorexant2890YesSynthetic organic450.157104Belsomra®, DORA-analogue, MK 4305, MK-4305
isothiourea-1t2899NoSynthetic organic406.222504IT1t
isopentenyl diphosphate3048NoMetabolite246.005829IPP, IPPP, isopentenyl pyrophosphate
geranylgeranyl diphosphate3052NoMetabolite450.193634all-trans-geranylgeranyl diphosphate, all-trans-geranylgeranyl-PP, geranylgeranyl-PP, geranylgeranyl pyrophosphate, GGPP
zaragozic acid A3057NoNatural product690.288757L 694599, L-694599, squalestatin, squalestatin 1
ibandronic acid3059YesSynthetic organic319.094971Bondronat®, Boniva®, ibandronate
alendronate3141YesSynthetic organic249.016724ABDP, BPH 1, Fosamax®, MK-217
diphosphoric acid3151NoSynthetic organic177.943222phosphonooxyphosphonic acid, pyrophosphoric acid
minodronic acid3164NoSynthetic organic322.011963BPH 261, ONO 5920, YH 529
risedronate3176YesSynthetic organic283.001068Actonel®, Atelvia®, NE-58095, risedronate sodium
zoledronic acid3177YesSynthetic organic271.996338Aclasta®, CGP-42446, CGP-42446A, Reclast®, zoledronate, Zometa®
GW64713440NoSynthetic organic619.265808GW 6471, GW-6471
GW96623442NoSynthetic organic276.030182GW 9662, GW-9662
[3H]dexamethasone3447NoSynthetic organic392.199890[3H]-dexamethasone
[3H]methyltrienolone3457NoSynthetic organic284.177643[3H]R1881, [3H]-R1881
R-spondin-13697NoPeptide9356.359375hRspo1, roof plate-specific spondin-1
[11C]doxepin3958NoSynthetic organic279.162323[11C]-doxepin
[3H]methyllycaconitine3980NoNatural product682.346558
vorapaxar4047YesSynthetic organic492.242432SCH530348, SCH 530348, SCH-530348, Zontivity®
dysiherbaine4185NoNatural product304.127045
kainate4231NoNatural product211.084457
heme4349NoMetabolite616.177307ferroheme, haem
sildenafil4743YesSynthetic organic475.212738Viagra®
paroxetine4790YesSynthetic organic329.142731paroxetine hydrochloride (anhydrous or hemihydrate), Paxil®, Seroxat®
aliskiren4812YesSynthetic organic551.393433CGP-060536B, SPP100, Tekturna®
methotrexate4815YesSynthetic organic454.171326Abitrexate®, amethopterin, Rasuvo®
miglitol4842YesSynthetic organic207.110672Glyset®, N-hydroxylethyl-1-deoxynojirimycin
crizotinib4903YesSynthetic organic449.118530(R)-crizotinib, PF-02341066, PF2341066, PF 2341066, PF-2341066, Xalkori®
erlotinib4920YesSynthetic organic393.168854NSC 718781, OSI 744, OSI-774, R 1415, Tarceva®
gefitinib4941YesSynthetic organic446.152100Iressa®, ZD1839, ZD 1839
αβ-methyleneADP5092NoMetabolite425.050140[αβCH2]ADP, α,β-methyleneadenosine 5''-diphosphate (αβmeADP), AMPCP, AMP-CP
bestatin5151NoSynthetic organic308.173615ubenimex
captopril5158YesSynthetic organic217.077271Capoten®, SQ-14225
fasudil5181YesSynthetic organic291.104156dihydrochloride fasudil, HA1077, HA1077, HA 1077
GSK6906935196NoSynthetic organic425.217529compound 3g [PMID 18800763], GSK 690693, GSK-690693
Ro20-17245258NoSynthetic organic278.163055RO-201724
rolipram5260NoSynthetic organic275.152130(±)-rolipram, (R,S)-rolipram
ruboxistaurin5263NoSynthetic organic468.216156LY-333531
SB2035805269NoSynthetic organic377.099823PB 203580, RWJ 64809, SB-203580
SP6001255273NoSynthetic organic220.0636601,9-pyrazoloanthrone, JNK Inhibitor II
sapropterin5276YesMetabolite241.117493sapropterin dihydrochloride, SUN-0588, T-1401, tetrahydrobiopterin (THB)
Y276325290NoSynthetic organic247.168457ROCK Inhibitor, Y-27632, Y-27632
axitinib5659YesSynthetic organic386.120117AG013736, AG 013736, AG-013736, Inlyta®
selumetinib5665NoSynthetic organic456.000000ARRY-142886, ARRY-886, AZD6244, NSC 741O78
BI-25365666NoSynthetic organic521.311462BI2536, BI 2536
afatinib5667YesSynthetic organic485.162994BIBW2992, Gilotrif®
CHIR-2655674NoSynthetic organic518.128967CHIR265, CHIR 265, RAF265, RAF 265, RAF-265
dasatinib5678YesSynthetic organic487.155731BMS 345825, BMS 354825, BMS 35482513, Sprycel®
foretinib5679NoSynthetic organic632.244629EXEL-2880, GSK1363089, GSK 1363089G, XL 880
GDC-08795681NoSynthetic organic334.142975AR00341677, AR 00341677, GDC0879, GDC 0879
pictilisib5682NoSynthetic organic513.161682GDC0941, GDC-0941, GNE 0941, pictrelisib
GW-25805685NoSynthetic organic366.169189cFMS receptor tyrosine kinase inhibitor, GW2580, GW632580X
imatinib5687YesSynthetic organic493.259003CGP 57148, Gleevec®, Glivec®, STI571
MLN-80545696NoSynthetic organic476.085175MLN8054, MLN 8054
nilotinib5697YesSynthetic organic529.183777AMN107, AMN 107, Tasigna®
PI-1035701NoSynthetic organic348.122253compound 2 [PMID: 17601739], PI 103, PIK 103
PLX-47205703NoSynthetic organic413.041260PLX 4720
PP-2425704NoSynthetic organic308.138550PP242, TORKinib
tamatinib5706NoSynthetic organic470.171387R 406, R-406, R406 free base
SGX-5235709NoSynthetic organic359.095306SGX523
bosutinib5710YesSynthetic organic529.164734Bosulif®, SK 606, SK-606, SKI 606
sorafenib5711YesSynthetic organic464.086304BAY 43-9006, Nexavar®
sunitinib5713YesSynthetic organic398.211792SU11248, Sutent®
tozasertib5718NoSynthetic organic464.210693MK 0457, VX 680
VX-7455719NoSynthetic organic435.988983VX 745
BMS compound 16 [PMID:23368907]5808NoSynthetic organic445.161316BPTU
IL-1 receptor antagonist5878NoPeptide16051.481445IL-1ra, interleukin-1 receptor antagonist protein, IRAP
vemurafenib5893YesSynthetic organic489.072540PLX4032, RG7204, Zelboraf®
Akt inhibitor X5922NoSynthetic organic344.16552710-DEBC, NCGC00167772-01
aloisine A5924NoSynthetic organic267.137177RP107
alsterpaullone5925NoSynthetic organic293.0800489-nitropaullone, NSC-705701
aurora kinase inhibitor III5931NoSynthetic organic413.1463322np8
nintedanib5936YesSynthetic organic539.253235BIBF1120, BIBF-1120, Ofev®, Vargatef®
ERK inhibitor II5966NoSynthetic organic327.123230FR180204
GSK-3beta inhibitor VIII5979NoSynthetic organic308.057922AR-A014418, GSK-3b inhibitor VIII
H-895983NoSynthetic organic445.045959H 89
indirubin-3'-monoxime5989NoSynthetic organic277.085114indirubin-3''-oxime
JAK inhibitor I5992NoSynthetic organic309.127747CMP-6
LY 2940026004NoSynthetic organic307.120850LY294002, LY-294002, SF 1101
PD 1742656017NoSynthetic organic370.0429384-aminoquinazoline, 2a, PD-174265
PI 3-Kg inhibitor6023NoSynthetic organic257.025909AS 605240, AS-605240
PI 3-Kg inhibitor II6024NoSynthetic organic284.990723AS 604850, PI3Kgamma inhibitor, PI 3-Kgamma inhibitor II
sirolimus6031YesSynthetic organic913.555115AY-22989, Rapamune®, rapamycin, WY-090217
seliciclib6035NoSynthetic organic354.216797CYC202, CYC-202, roscovitine, (R)-roscovitine, R-roscovitine
SB2200256038NoSynthetic organic338.1655273erk, SB220025, SB-220025
SU95166045NoSynthetic organic241.085129AC1NRD9P, SU-9516
TGF-beta RI kinase inhibitor6050NoSynthetic organic272.106201LY 364947, LY-364947, TbetaR-I inhibitor
tivozanib6058NoSynthetic organic454.104401AV-951, KRN-951, VEGFR tyrosine kinase inhibitor IV
wortmannin6060NoNatural product428.147125antibiotic SL-2052, KY 12420
PIK-936062NoSynthetic organic389.027069PIK93, PIK 93
sitagliptin6286YesSynthetic organic407.118073Januvia®, MK-0431
vildagliptin6310YesSynthetic organic303.194672Galvus®, LAF-237, NVP-LAF237
saxagliptin6316YesSynthetic organic315.194672BMS-477118, Onglyza®
linagliptin6318YesSynthetic organic472.233521BI-1356, Tradjenta®
alogliptin6319YesSynthetic organic339.169525Nesina®, SYR-322, Vipidia®
enalaprilat6332YesSynthetic organic348.168518MK-422
lisinopril6360YesSynthetic organic405.226379Prinivil®, Zestril®
melagatran6382NoSynthetic organic429.237610H-319-68
rivaroxaban6388YesSynthetic organic435.065582BAY 59-7939, Xarelto®
apixaban6390YesSynthetic organic459.190643BMS-562247, Eliquis®
LY28867216475NoSynthetic organic390.096191LY 2886721, LY-2886721
fasiglifam6484NoSynthetic organic524.186890TAK875, TAK 875, TAK-875
dabrafenib6494YesSynthetic organic519.101074GSK2118436, GSK2118436A, Tafinlar®
Nωpropyl-L-arginine6525NoMetabolite216.158630
compound 1 [PMID: 17935984]6526NoSynthetic organic402.122711
compound 4 [PMID: 18163548]6545NoSynthetic organic477.168213
DG-0516548NoSynthetic organic389.139374compound 20 [PMID: 19950900]
RS-253446557NoSynthetic organic375.096741RS 25344
JNJ-103117956563NoSynthetic organic670.223267
tranexamic acid6573YesSynthetic organic157.110275CL-65336, Cyclo-F®, Cyklokapron®, Femstrual®, trans AMCHA
6-aminocaproic acid6574YesSynthetic organic131.094635Amicar®, EACA, ε-aminocaproic acid
donepezil6599YesSynthetic organic379.214752Aricept®, E-2020
PF-5436623NoSynthetic organic465.197388PF 543, sphingosine kinase 1 Inhibitor II
LY1340466631NoSynthetic organic215.026855LY 134046, LY-134046
clorgiline6636NoSynthetic organic271.053070chlorgyline, clorgyline
HQL-796662NoSynthetic organic377.221558HQL79, HQL 79
tacrine6687YesSynthetic organic198.115692CI-970, Cognex®, tetrahydroaminoacridine
galantamine6693YesSynthetic organic287.152130galanthamine, Razadyne®
darapladib6696NoSynthetic organic667.273010SB 480848, SB-480848
Ro 48-80716710NoSynthetic organic447.120911compound 2 [PMID: 22533316]
HTS010376736NoSynthetic organic337.007874compound 1 [PMID: 19754198], HTS 01037
MRL206742NoSynthetic organic527.155579
abiraterone6745YesSynthetic organic349.240570CB 7598, Zytiga®
canakinumab6773YesAntibody43204.019531ACZ885, ACZ 885, Ilaris®
tacrolimus6784YesSynthetic organic803.481995fujimycin, Prograf®, Protopic®
acetazolamide6792YesSynthetic organic221.988129Diamox®
ethoxzolamide6814YesSynthetic organic258.013275Cardrase®, Ethamide®, ethoxazolamide, ethoxyzolamide
methazolamide6828YesSynthetic organic236.003784methenamide, Neptazane®
oxiglutatione6835YesSynthetic organic612.151978glutathione disulfide, Navstel®
teriflunomide6844YesSynthetic organic270.061615A77 1726, Aubagio®, flucyamide, HMR-1726
topiramate6849YesSynthetic organic339.098785epitomax, MCN-4853, RWJ-17021, Topamax®
vorinostat6852YesSynthetic organic264.147400SAHA, suberoylanilide hydroxamic acid, Zolinza®
ibrutinib6912YesSynthetic organic440.196075Imbruvica®, PCI-32765
LY28113766936NoSynthetic organic320.090729LY 2811376, LY-2811376
AZ-42176939NoSynthetic organic476.201233AZ4217, AZ 4217
oxazine 896944NoSynthetic organic421.116180
compound 2 [PMID: 22911925]6950NoSynthetic organic592.308350compound 37 [PMID: 22468684]
roflumilast6962YesSynthetic organic402.034943BY-217, BYK-20869, Daliresp®, Daxas®
trichostatin A7005NoSynthetic organic302.163055
BIX-012947014NoSynthetic organic490.305634BIX01294, BIX 01294
UNC06387015NoSynthetic organic509.372986
bromo-deaza-SAH7018NoSynthetic organic461.036865
pinometostat7019NoSynthetic organic562.338013EPZ5676, EPZ 5676, EPZ-5676
SGC09467020NoSynthetic organic617.232544
AZ5057021NoSynthetic organic576.226990AZ 505, AZ-505
daminozide7025NoSynthetic organic160.084793B 995, DMASA, SADH
GSK-J17027NoSynthetic organic389.185181
compound 1 [PMID: 22795084]7032NoSynthetic organic302.120117compound 1 (allosteric)
I-BET-7627033NoSynthetic organic423.146210CS-0717, GSK525762, GSK 525762A, I-BET762
RVX 2087034NoSynthetic organic371.160706QC-216, RVX-000222, RVX-208
exemestane7073YesMetabolite296.177643Aromasin®, FCE-24304
escitalopram7177YesSynthetic organic324.163788Cipralex®, Lexapro®, LU-26-054-0
meclofenamic acid7219YesSynthetic organic295.016693CL-583, INF-4668, Meclomen®
pamidronic acid7259YesSynthetic organic235.001068Aredia®, CGP-23339AE
tadalafil7299YesSynthetic organic389.137543Adcirca®, Cialis®, IC351, IC-351
vardenafil7320YesSynthetic organic489.228394Levitra®
bazedoxifene7355YesSynthetic organic470.256958Conbriza®, TSE-424, Viviant®, WAY-140424
JDTic7362NoSynthetic organic465.299133compound 10 [PMID: 11495579]
EPZ0047777377NoSynthetic organic539.322021EPZ 004777, EPZ-004777
dinaciclib7379NoSynthetic organic396.227386SCH727965
palbociclib7380YesSynthetic organic447.238281Ibrance®, PD0332991, PD-0332991
ceritinib7397YesSynthetic organic557.222717compound 15b [PMID 23742252], LDK378, NVP-LDK378-NX, Zykadia®
raltitrexed7403YesSynthetic organic459.133820ICI-D-1694, Tomudex®, ZD1694
tolrestat7404YesSynthetic organic357.064636Alredase®, AY-27773, AY-27,773
eribaxaban7408NoSynthetic organic484.131348PD-0348292
lidorestat7411NoSynthetic organic376.049347IDD-000676-01, IDD-676
sorbinil7415NoSynthetic organic236.059723CP-45634
tanaproget7416NoSynthetic organic297.093597NSP-989
zenarestat7418NoSynthetic organic439.957489FK-366, FR-74366
zopolrestat7419NoSynthetic organic419.055145CP-73850
lenvatinib7426YesSynthetic organic426.109497E 7080, ER-203492-00, Lenvima®
ulipristal acetate7460YesNatural product475.272247CDB-2914, EllaOne®, VA2914
loratinib7476NoSynthetic organic433.166260PF-06463922
ischemin7506NoSynthetic organic335.093964MS120
MS4367509NoSynthetic organic383.105225
(+)-JQ17511NoSynthetic organic456.138672
MS4177512NoSynthetic organic414.091736
GW841819X7514NoSynthetic organic423.169525KB-75882
BzT-77515NoSynthetic organic323.093781
compound 4d [PMID: 21851057]7516NoSynthetic organic261.136505
I-BET1517518NoSynthetic organic415.164429GSK1210151A
olaparib7519YesSynthetic organic434.175415AZD2281, AZD-2281, Lynparza®
PFI-17523NoSynthetic organic347.093964HY-16586, PF-6405761, QCR-192
XD147524NoSynthetic organic421.167145
XD17525NoSynthetic organic385.152527colchicein, colchiceine, NSC33411
isoxazole azepine compound 37527NoSynthetic organic399.080811
compound 15 (Hay et al., 2013)7528NoSynthetic organic305.141571
SGC-CBP307529NoSynthetic organic508.224121
lasofoxifene7542NoSynthetic organic413.235474lasofoxifene tartrate
compound 15a [PMID: 22464687]7578NoSynthetic organic538.187073
cobimetinib7626YesSynthetic organic531.063049cobimetinib butyrate, cobimetinib fumarate, Cotellic®, GDC-0973, XL518, XL-518
AEE7887643NoSynthetic organic440.268860AEE 788, NVP-AEE788
AZD67037687NoSynthetic organic417.216461AZ12012199, AZ 12012199, AZ-12012199, AZD 6703, AZD-6703
AZD53637709NoSynthetic organic428.172760AZD 5363, AZD-5363, cc-638
AZD77627713NoSynthetic organic362.121277AZD 7762, AZD-7762
saracatinib7731NoSynthetic organic541.209167AZD0530, AZD-0530
rucaparib7736NoSynthetic organic323.143402AG014699, AG-014699, AG14447, PF-01367338
brigatinib7741NoSynthetic organic528.216919AP26113, AP-26113, compound 11q [PMID: 27144831]
CH51327997743NoSynthetic organic377.127014CH 5132799, CH-5132799
ME bromodomain inhibitor7807NoSynthetic organic424.130219
ET bromodomain inhibitor7808NoSynthetic organic438.145874
compound 1 [PMID: 25408830]7809NoSynthetic organic205.085129BAS 08314227
compound 3 [PMID: 25408830]7811NoSynthetic organic394.200500
RXP470.17812NoSynthetic organic816.096252
talmapimod7817NoSynthetic organic512.199036SCIO-469
PH-7978047818NoSynthetic organic476.054718
BMS-5829497838NoSynthetic organic406.211731BMS582949, BMS 582949, PS540446, PS 540446, PS-540446
andarine7849NoSynthetic organic441.114777GTX007, GTX-007
sacubitrilat7858NoSynthetic organic383.173279LBQ657, LBQ-657
MLN-47607866NoSynthetic organic427.106567MLN4760, MLN 4760
roniciclib7874NoSynthetic organic430.128632BAY 1000394, BAY 10-00394, KB-145902
BGJ-3987877NoSynthetic organic559.186523BGJ398, BGJ 398, NVP-BGJ398
ipatasertib7887NoSynthetic organic457.224457GDC-0068
apitolisib7888NoSynthetic organic498.216156GDC0980, GDC-0980, RG7422, RG-7422
entospletinib7889NoSynthetic organic411.180756GS-9973
RXP-4077894NoSynthetic organic498.187958RXP 407
bafetinib7906NoSynthetic organic576.257263INNO-406, Lyn-IN-1, NS-187
7-hydroxystaurosporine7907NoSynthetic organic482.195404UCN 01, UCN-01
filgotinib7913NoSynthetic organic425.152161GLPG0634
PFI-37915NoSynthetic organic321.147736compound 16 [PMID: 27115555], IN2080, PF-06687252, PFI 3
NMS-P9377918NoSynthetic organic532.215820NMS1286937, NMS-1286937, NMS P937
PD 03259017935NoSynthetic organic481.995026PD0325901, PD-0325901
PF-046915027936NoSynthetic organic425.206299PF 04691502
danusertib7937NoSynthetic organic474.237946PHA 739358, PHA-739358
milciclib7938NoSynthetic organic460.269897PHA848125, PHA 848125, PHA-848125
refametinib7942NoSynthetic organic572.008972BAY-869766, RDEA119
sotrastaurin7946NoSynthetic organic438.180420AEB071, AEB-071
volasertib7947NoSynthetic organic618.400574BI 6727
BMS-7548077952NoSynthetic organic461.208771BMS754807, BMS 754807
BMS-9115437954NoSynthetic organic432.238617BMS911543, BMS 911543
PP1218013NoSynthetic organic319.154541PP 121, PP-121
CHIR-990218014NoSynthetic organic464.103149CHIR99021, CHIR 99021, CT99021, CT-99021
tipifarnib8025NoSynthetic organic488.117065R115777, R-115777
PF-47086718036NoSynthetic organic390.177979PF4708671
BI-D18708038NoSynthetic organic391.181976
PF-36440228045NoSynthetic organic374.120117PF3644022, PF 3644022
PF-48005678050NoSynthetic organic359.114899PF4800567
KH-CB198055NoSynthetic organic337.038483KH CB19
SCH7729848056NoSynthetic organic587.275696SCH-772984
XMD8-928057NoSynthetic organic474.237946XMD 8-92
AZD64828059NoSynthetic organic408.179749AZD 6482, AZD-6482
MK-51088061NoSynthetic organic461.097626MK5108, VX689, VX-689
MRT673078062NoSynthetic organic464.289978MRT-67307
CGI17468066NoSynthetic organic579.284546CGI 1746, CGI-1746
NG-258074NoSynthetic organic537.235168NG25
5Z-7-oxozeaenol8077NoSynthetic organic362.136566(5Z)-7-oxozeaenol, FR-148083, LL-Z1640-2
XL4138113NoSynthetic organic290.069641BMS863233, BMS-863233, XL-413
CX-49458126NoSynthetic organic349.061798CX4945, CX 4945
compound 1a [PMID: 24900749]8128NoSynthetic organic361.165100
compound 10 [PMID: 23147077]8133NoSynthetic organic359.174622
compound 66 [PMID: 19788238]8141NoSynthetic organic417.143707
balanol8142NoNatural product550.158752azepinostatin
RKI-14478152NoSynthetic organic326.083740compound 5g [PMID 23275831], RKI1447
compound 20 [PMID: 22136433]8156NoSynthetic organic362.070129
compound 7 [PMID: 22464456]8172NoSynthetic organic375.121704thienopyrazolylindole inhibitor 477
compound 31 [PMID: 23374866]8174NoSynthetic organic366.169189
compound 16 [PMID: 17480064]8177NoSynthetic organic340.132416
SB-4315428216NoSynthetic organic384.122253compound 14, SB431542
IOX18230NoSynthetic organic189.042587
OICR-94298231NoSynthetic organic555.245728
GSK28018233NoSynthetic organic371.119141KB-146016
(R)-PFI-28235NoSynthetic organic499.155273
LLY-5078239NoSynthetic organic574.341980
CPHPC8256NoSynthetic organic340.163422compound 52 [PMID 14998318], GSK2315698, Ro 63-8695
forodesine8272NoSynthetic organic267.109344BCX1777, BCX-1777, Fodosine® (proposed trade name), immucillin H, immucillin-H
niraparib8275NoSynthetic organic320.163696compound 56 [PMID 19873981], MK 4827, MK-4827
EPZ0156668287NoSynthetic organic383.195740EPZ 015666, EPZ-015666
safinamide8291YesSynthetic organic302.143066EMD 1195686, EMD-1195686, Xadago®
AM78292NoSynthetic organic610.259155AM 7, AM-7, pyrimidone, 22
tepotinib8293NoSynthetic organic492.227386compound 22 [PMID: 25736998], EMD 1214063, EMD-1214063, MSC2156119, MSC2156119J
PF-064545898295NoSynthetic organic284.138550compound 28 [PMID: 25353650]
compound 1 (Xiao et al. 2014)8301NoSynthetic organic368.015289indole sufonamide 1
compound 1 [PMID: 25719566]8302NoSynthetic organic354.159302
compound 7d [PMID: 25703523]8304NoSynthetic organic319.006866
compound 7 [PMID: 25719566]8306NoSynthetic organic358.165436
decernotinib8309NoSynthetic organic392.157257adelatinib, VRT-831509, VX-509
fadrozole8311YesSynthetic organic223.110947Afema®, CGS 16949 A, CGS-16949A, FAD 286, FAD-286
talazoparib8313NoSynthetic organic380.119720BMN-673
navitoclax8319NoSynthetic organic973.295532ABT 263, ABT-263
PBD1508356NoSynthetic organic320.130707compound 53 [PMID 16420052]
tafamidis8378YesSynthetic organic306.980286FX-1006
I-BRD98397NoSynthetic organic497.105469compound 45 [PMID 25856009], GSK602
UK-432,0978420NoSynthetic organic777.371094
ME03288468NoSynthetic organic322.155548compound 5b [PMID 24188023], ME-0328
AZ6288475NoSynthetic organic451.200836AZ 628, AZ-628
AZD28588478NoSynthetic organic453.158295AZD 2858, AZD-2858, compound 18 [PMID: 22489897]
SGC7078552NoSynthetic organic298.142975
LP998572NoSynthetic organic515.164551compound 60 [PMID: 25864491]
PFI-48575NoSynthetic organic380.184845
ONO-30805738588NoSynthetic organic518.230469ON3
ONO-97803078589NoSynthetic organic521.241333ON7, ONO9780307
ONO-99105398590NoSynthetic organic563.251892ON9
NTE-18596NoSynthetic organic733.420349
NTE-28597NoSynthetic organic735.415955
quinoline 28599NoSynthetic organic398.180573
MI-11488601NoSynthetic organic763.4718024-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide, para-guanidinomethyl-Phac-R-Tle-R-Amba
GSK21940698605NoSynthetic organic428.184845GSK 2194069, GSK-2194069
o-F-amidine8625NoSynthetic organic338.139038compound 17 [PMID: 21882827]
compound 15 [PMID: 22017539]8636NoSynthetic organic446.1590274UF
AK1988637NoSynthetic organic352.062622
galeterone8638NoSynthetic organic388.251465TOK-001, VN/124-1
compound 60 [PMID: 26155854]8641NoSynthetic organic365.185181
IK-8628680NoSynthetic organic433.200165compound 32, IK862
compound 16 [PMID: 23412139]8698NoSynthetic organic372.0811460V6
isatuximab8719NoAntibody46781.417969ch38SB19, hu38SB19, SAR650984, SAR-650984
compound 10b [PMID: 26222319]8731NoSynthetic organic248.116089
compound 33 [PMID: 26230603]8732NoSynthetic organic420.183136
resveratrol8741NoNatural product228.0786443,4'',5-stilbenetriol, 3,5,4''-trihydroxystilbene, trans-resveratrol
compound 6a [PMID: 18942826]8744NoSynthetic organic167.021851lutidinic acid
ajmalicine8746YesNatural product352.178680delta-yohimbine, raubasine, rauvasan, rauwolfia alkaloid
compound 39a [PMID: 15634016]8754NoSynthetic organic174.079315
A11208792NoSynthetic organic392.134766A 1120, compound 33 [PMID: 24835984]
ritonavir8804YesSynthetic organic720.312744A-84538, ABBOTT-84538, ABT 538, ABT-538, Norvir®
compound 82 [PMID: 21332118]8805NoSynthetic organic476.017975
compound 30 [PMID: 15953724]8812NoSynthetic organic539.202759
compound 1 [PMID: 21882820]8831NoSynthetic organic317.934265
torin 28839NoSynthetic organic432.119781compound 3, torin2, Torin-2
CGS-27023A8846NoSynthetic organic393.135834CGS27023A, CGS 27023A, MMI270
BLU99318862NoSynthetic organic508.106903
cobalt protoporphyrin IX8902NoSynthetic organic619.175537protoporphyrin IX containing Co
GSK51828908NoSynthetic organic417.230408GSK 5182, GSK-5182
AMG3198917NoSynthetic organic385.145111AMG 319, AMG-319
PF-37583098937NoSynthetic organic490.226318compound 1 [PMID: 24432870], example 114 [US8530652], PF-03758309, PF3758309
FRAX5978939NoSynthetic organic557.176453
LY30091208943NoSynthetic organic424.238678LY-3009120
BI-95648950NoSynthetic organic353.173950
BAY-5988953NoSynthetic organic524.094177
GSK5918954NoSynthetic organic380.221222EPZ015866, GSK3203591
MS0238955NoSynthetic organic287.199768
BGB-2838958NoSynthetic organic478.125275compound 2.2b
omipalisib8974NoSynthetic organic505.102020GSK2126458, GSK 2126458, GSK-2126458
compound 9 [PMID: 23472952]9017NoSynthetic organic286.206390arginase inhibitor 1
NLG9199019NoSynthetic organic282.173218GDC-0919, NLG 919, RG6078
compound 1a [PMID: 25692029]9091NoSynthetic organic418.165771
CPI-06109120NoSynthetic organic365.093109compound 10 [PMID: 26815195]
GSK5839134NoSynthetic organic398.121277GSK''583
SB-6740429136NoSynthetic organic448.136932SB674042, SB 674042
compound 14j [PMID: 27050842]9147NoSynthetic organic284.200104
rebastinib9173NoSynthetic organic553.223755DCC 2036, DCC-2036, DP-1919
WZ40029176NoSynthetic organic494.183319
2'3'-cGAMP9207NoSynthetic organic675.107788cyclic [G(2'',5'')pA(3'',5'')p], cyclic GMP-AMP, Cyclic guanosine monophosphate-adenosine monophosphate
GDC-09949229NoSynthetic organic440.116394example 39 [WO2013130976], ravoxertinib (proposed INN)
compound 4g [PMID: 22220592]9236NoSynthetic organic277.132751Example XCII [US20160175314]
BIIB0219258NoSynthetic organic318.099579
SNX07239260NoSynthetic organic399.195831
GDC-08349263NoSynthetic organic596.256958GDC 0834
MPS1-IN-19271NoSynthetic organic535.225342
TAK-7159328NoSynthetic organic399.140533compound 8h [PMID: 16162000], TAK0715, TAK 715
harmine9352NoSynthetic organic212.094971
AZD75459362NoSynthetic organic478.057709AZD-7545
LGB3219367NoSynthetic organic457.172546
PF-6704629371NoSynthetic organic337.170288
VTX-11e9375NoSynthetic organic499.09780911e [PMID: 19827834], VX-11e
JNK inhibitor 9l9377NoSynthetic organic502.224091JNK-9L
PIK-III9379NoSynthetic organic319.154541
PF-5622719381NoSynthetic organic507.130035PF-00562271, PF-562,271, PF-562,271-26
GSK1439388NoSynthetic organic342.180420compound 20 [PMID: 21903390]
MPI-04796059399NoSynthetic organic407.243347
AZ31469400NoSynthetic organic452.253601
NMS-P7159401NoSynthetic organic676.309692compound 15 [PMID: 21723120], NMSP715
Ro32809403NoSynthetic organic543.276917compound 7 [PMID: 22172702]
PP29404NoSynthetic organic301.109436
BAY11619099427NoSynthetic organic559.168945empesertib (proposed INN), Mps1-IN-5
BMS-6819430NoSynthetic organic491.287201compound 13d [PMID: 25893046]
CCR2-RA-[R]9431NoSynthetic organic351.103760analog 49 (Dasse et al., 2007)
compound 12 [PMID: 27448772]9453NoSynthetic organic455.162720
MLKL compound 19513NoSynthetic organic573.140625compound 23 [PMID: 15990302], GW806742X
GSK88149521NoSynthetic organic527.270813
OF-19523NoSynthetic organic439.020142OF 1
A-3959525NoSynthetic organic486.246490
GSK29827729554NoSynthetic organic377.148804compound 5 [PMID: 28151659]
AZ34519560NoSynthetic organic570.126648
NNC06409574NoSynthetic organic573.215820
AZ88389585NoSynthetic organic234.116837
Peptide 5 [PMID: 28562585]9588NoPeptide434.209412
AM115429612NoSynthetic organic448.197693
PF-25459209617NoSynthetic organic392.163696MP-10, PF-02545920, PF2545920, pyrazole 9 [PMID: 19630403]
AMG-87189639NoSynthetic organic442.144104
DSM2659644NoSynthetic organic415.070160
K-87949651NoSynthetic organic682.257324
GSK8669653NoSynthetic organic561.095764