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P10275 | ANDR_HUMAN | Androgen receptor (AR)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL184313 OBDepict CH 3 H CH 3 H HO O IC50 = 0.1 nM 342.52 CCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21 Homo sapiens CHEMBL874560 assay format
CHEMBL484727 OBDepict N Cl H 3 C N O N H H F F F H HO Ki = 0.2 nM 359.74 Cc1c(/N=C2O[C@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL2311179 OBDepict O H H CH 3 H OH IC50 = 0.2 nM 272.39 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL874560 assay format
CHEMBL427898 OBDepict H 3 C O HO O O N CH 3 H O IC50 = 0.2 nM 323.3 COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 Homo sapiens CHEMBL930493 cell-based format
CHEMBL256769 OBDepict H 3 C O O O O F F F O N CH 3 H O IC50 = 0.2 nM 419.31 COc1c(C(=O)OC(F)(F)F)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 Homo sapiens CHEMBL930493 cell-based format
CHEMBL189306 OBDepict H 3 C H CH 3 H OH O IC50 = 0.2 nM 440.71 CCCCCCCCCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21 Homo sapiens CHEMBL874560 assay format
CHEMBL1170 OBDepict CH 3 O O H CH 3 H H H CH 3 O Ki = 0.25 nM 344.5 CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL896728 cell-based format
CHEMBL484726 OBDepict N Cl H 3 C N O N H H F F F H HO Ki = 0.3 nM 359.74 Cc1c(/N=C2O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL520174 OBDepict N Cl CH 3 N O N H H HO Ki = 0.3 nM 291.74 Cc1c(/N=C2OC[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL296323 OBDepict Br HO H 3 C NH O + N F F F O _ O Ki = 0.3 nM 371.11 C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 Homo sapiens CHEMBL648326 single protein format
CHEMBL2112312 OBDepict H 3 C H H CH 3 N H O F F F O IC50 = 0.3 nM 311.3 CC[C@@H]1c2cc3c(C(F)(F)F)cc(=O)oc3cc2NC[C@H]1C Homo sapiens CHEMBL648082 cell-based format
CHEMBL484728 OBDepict N Cl H 3 C N O N H H F F F H HO Ki = 0.3 nM 359.74 Cc1c(/N=C2O[C@@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL257151 OBDepict OH O N CH 3 H O IC50 = 0.3 nM 293.32 Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3 Homo sapiens CHEMBL930493 cell-based format
CHEMBL238330 OBDepict F F O N H N F F F F F F Ki = 0.4 nM 374.23 O=c1cc(C(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 Homo sapiens CHEMBL891115 single protein format
CHEMBL166444 OBDepict O H H CH 3 CH 3 OH Ki = 0.4 nM 284.4 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C Homo sapiens CHEMBL3767965 cell-based format
CHEMBL233773 OBDepict N Cl CH 3 N S O O O N H H HO Ki = 0.45 nM 341.78 Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3S2(=O)=O)ccc(C#N)c1Cl Homo sapiens CHEMBL896728 cell-based format
CHEMBL1957612 OBDepict N Cl N N CH 3 CH 3 F IC50 = 0.47 nM 339.8 Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(F)cc1 Homo sapiens CHEMBL1960482 cell-based format
CHEMBL4060271 OBDepict N Cl CH 3 N H CH 3 CH 3 OH IC50 = 0.49 nM 264.76 Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1Cl Homo sapiens CHEMBL4012500 cell-based format
CHEMBL237045 OBDepict F F N F F N H F F F O Ki = 0.5 nM 356.24 O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)F)ccc2[nH]1 Homo sapiens CHEMBL891115 single protein format
CHEMBL238332 OBDepict O N H Br N F F F F F F Ki = 0.5 nM 403.12 O=c1cc(Br)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 Homo sapiens CHEMBL891115 single protein format
CHEMBL395483 OBDepict N Cl CH 3 O N H 3 C H H HO Ki = 0.5 nM 302.76 CC1=C(c2ccc(C#N)c(Cl)c2C)C(=O)N2CC[C@H](O)[C@@H]12 Homo sapiens CHEMBL888425 cell-based format
CHEMBL238331 OBDepict O N H Cl N F F F F F F Ki = 0.5 nM 358.67 O=c1cc(Cl)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 Homo sapiens CHEMBL891115 single protein format
CHEMBL4068946 OBDepict N Cl N H H 3 C CH 3 HO IC50 = 0.52 nM 250.73 C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CC[C@]1(C)O Homo sapiens CHEMBL4012500 cell-based format
CHEMBL3765171 OBDepict N Cl CH 3 N H H H 3 C OH Ki = 0.68 nM 264.76 Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl Homo sapiens CHEMBL3767965 cell-based format
CHEMBL3326454 OBDepict H O CH 3 H N N H HO CH 3 Cl N IC50 = 0.7 nM 305.76 CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC[C@H](O)[C@@H]12 Homo sapiens CHEMBL3371986 cell-based format
CHEMBL229160 OBDepict H N CH 3 H N H HO O CH 3 Cl N Ki = 0.7 nM 319.79 CC[C@H]1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C Homo sapiens CHEMBL888425 cell-based format
CHEMBL231122 OBDepict N H 3 C Cl N O N O H H HO Ki = 0.7 nM 305.72 Cc1c(C#N)ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c1Cl Homo sapiens CHEMBL887415 single protein format
CHEMBL483745 OBDepict N Cl H 3 C N O N H H CH 3 H 3 C H HO Ki = 0.7 nM 333.82 Cc1c(/N=C2O[C@@H](C(C)C)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL4090028 OBDepict N Cl CH 3 N H CH 3 H OH IC50 = 0.72 nM 250.73 Cc1c(N2CC[C@H](O)[C@@H]2C)ccc(C#N)c1Cl Homo sapiens CHEMBL4012500 cell-based format
CHEMBL398431 OBDepict H 3 C N N F F F N IC50 = 0.8 nM 283.3 CCCN(CC1CC1)c1cc(C(F)(F)F)c(C#N)cn1 Homo sapiens CHEMBL940963 cell-based format
CHEMBL258397 OBDepict H 3 C O O O N CH 3 H O IC50 = 0.8 nM 307.31 COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1 Homo sapiens CHEMBL930493 cell-based format
CHEMBL186254 OBDepict H 3 C H CH 3 H OH O IC50 = 0.8 nM 412.66 CCCCCCCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21 Homo sapiens CHEMBL874560 assay format
CHEMBL484919 OBDepict N Cl CH 3 N O N H H HO Ki = 0.8 nM 291.74 Cc1c(/N=C2OC[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL3402221 OBDepict N N H H 3 C IC50 = 0.84 nM 236.32 C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 Homo sapiens CHEMBL3404787 single protein format
CHEMBL375918 OBDepict H N F F F H N O H OH CH 3 Cl N Ki = 0.9 nM 359.74 Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl Homo sapiens CHEMBL888425 cell-based format
CHEMBL229861 OBDepict H N CH 3 H N H HO O CH 3 Cl N Ki = 0.9 nM 319.79 CC[C@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C Homo sapiens CHEMBL888425 cell-based format
CHEMBL268098 OBDepict O O F F F N H IC50 = 1.0 nM 269.22 O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3 Homo sapiens CHEMBL648082 cell-based format
CHEMBL7289 OBDepict O O F F F N H CH 3 CH 3 IC50 = 1.0 nM 297.28 CC1(C)CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1 Homo sapiens CHEMBL648082 cell-based format
CHEMBL266473 OBDepict CH 3 N H O O F F F IC50 = 1.0 nM 297.28 CCC1CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2N1 Homo sapiens CHEMBL648082 cell-based format
CHEMBL415289 OBDepict O O F F F N H CH 3 IC50 = 1.0 nM 283.25 CC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21 Homo sapiens CHEMBL648082 cell-based format
CHEMBL6843 OBDepict CH 3 N H O F F F O IC50 = 1.0 nM 297.28 CCC1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21 Homo sapiens CHEMBL648082 cell-based format
CHEMBL229210 OBDepict H N F F F H N O H OH CH 3 Cl N Ki = 1.0 nM 359.74 Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl Homo sapiens CHEMBL888425 cell-based format
CHEMBL4092535 OBDepict N F CH 3 N H CH 3 CH 3 OH IC50 = 1.0 nM 248.3 Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1F Homo sapiens CHEMBL4012500 cell-based format
CHEMBL181571 OBDepict O N H O H + N O _ O Ki = 1.0 nM 334.33 O=C1[C@H]2C3C=CC(C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL830415 cell-based format
CHEMBL3623124 OBDepict N F F F N O O H H H 3 C O H 3 C H N H S O O IC50 = 1.0 nM 519.5 C[C@@]12C[C@@H](NS(=O)(=O)c3ccccc3)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 Homo sapiens CHEMBL3624234 cell-based format
CHEMBL403668 OBDepict N I N O O H H H 3 C O H 3 C Ki = 1.0 nM 422.22 CC12CCC(C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 Homo sapiens CHEMBL933063 cell-based format
CHEMBL3402227 OBDepict N N H N IC50 = 1.0 nM 247.3 N#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12 Homo sapiens CHEMBL3404787 single protein format
CHEMBL384533 OBDepict O N N O H H H + N O _ O Ki = 1.0 nM 337.34 O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL913352 cell-based format
CHEMBL3623125 OBDepict N F F F N O O H H H 3 C O H 3 C H N H S O O F Ki = 1.0 nM 537.49 C[C@@]12C[C@@H](NS(=O)(=O)c3ccccc3F)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 Homo sapiens CHEMBL3624233 cell-based format
CHEMBL185880 OBDepict O N N O H H H + N O _ O Ki = 1.0 nM 337.34 O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL826376 cell-based format
CHEMBL4063939 OBDepict N Cl N O H H 3 C F F H HO IC50 = 1.1 nM 286.67 C[C@H]1[C@@H](O)C(F)(F)C(=O)N1c1ccc(C#N)c(Cl)c1 Homo sapiens CHEMBL4021499 single protein format
CHEMBL3402224 OBDepict H 3 C H N N IC50 = 1.1 nM 250.34 CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12 Homo sapiens CHEMBL3404787 single protein format
CHEMBL253535 OBDepict OH O N H F F F O IC50 = 1.1 nM 333.26 O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1c(O)cccc1OC3 Homo sapiens CHEMBL930493 cell-based format
CHEMBL257379 OBDepict CH 3 H N O F F F N H F F F O Ki = 1.1 nM 442.36 Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1 Homo sapiens CHEMBL933554 cell-based format
CHEMBL50241 OBDepict CH 3 H 3 C H 3 C H 3 C H 3 C CH 2 H OH Ki = 1.1 nM 396.66 C=C1CC[C@H](O)C/C1=C/C=C1CCCC2(C)C1CCC2C(C)/C=C/C(C)C(C)C Homo sapiens CHEMBL648331 single protein format
CHEMBL427731 OBDepict H 3 C O HO O N CH 3 H O IC50 = 1.2 nM 309.32 COc1c(O)ccc2c1-c1ccc3[nH]c(=O)cc(C)c3c1CO2 Homo sapiens CHEMBL930493 cell-based format
CHEMBL224204 OBDepict CH 3 N O N H F F F O Ki = 1.2 nM 298.26 CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 Homo sapiens CHEMBL916638 cell-based format
CHEMBL398226 OBDepict N Br CH 3 N O N O H H HO Ki = 1.2 nM 350.17 Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Br Homo sapiens CHEMBL887415 single protein format
CHEMBL4074501 OBDepict N Cl N O H H 3 C H CH 3 H HO IC50 = 1.3 nM 264.71 C[C@@H]1C(=O)N(c2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1O Homo sapiens CHEMBL4021499 single protein format
CHEMBL402835 OBDepict O N H F F F O N H F F F Ki = 1.3 nM 428.33 O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](c1ccccc1)N3CC(F)(F)F Homo sapiens CHEMBL933554 cell-based format
CHEMBL390849 OBDepict N F CH 3 N O N O H H HO Ki = 1.3 nM 289.27 Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1F Homo sapiens CHEMBL887415 single protein format
CHEMBL253535 OBDepict OH O N H F F F O Ki = 1.3 nM 333.26 O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1c(O)cccc1OC3 Homo sapiens CHEMBL930492 cell-based format
CHEMBL4088158 OBDepict N N CH 3 Cl HO IC50 = 1.4 nM 232.67 Cn1c(C#N)ccc1-c1ccc(O)cc1Cl Homo sapiens CHEMBL4040321 cell-based format
CHEMBL3402225 OBDepict N N H CH 3 H 3 C IC50 = 1.4 nM 264.37 CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 Homo sapiens CHEMBL3404787 single protein format
CHEMBL4226259 OBDepict N H 3 C N N H 3 C O HO IC50 = 1.4 nM 355.4 Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4219475 single protein format
CHEMBL4227715 OBDepict N F F F N N CH 3 CH 3 O OH IC50 = 1.4 nM 399.37 Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1Cc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4219475 single protein format
CHEMBL1934442 OBDepict N H 3 C N CH 3 N IC50 = 1.4 nM 311.39 Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccccc1 Homo sapiens CHEMBL1937839 cell-based format
CHEMBL238122 OBDepict O N H CH 3 N F F F F F F Ki = 1.4 nM 338.25 Cc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 Homo sapiens CHEMBL891115 single protein format
CHEMBL1957613 OBDepict N F F F N N CH 3 CH 3 F IC50 = 1.4 nM 373.35 Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1Cc1ccc(F)cc1 Homo sapiens CHEMBL1960482 cell-based format
CHEMBL3402232 OBDepict N N H H 3 C H HO CH 3 CH 3 IC50 = 1.4 nM 294.4 C[C@H]1[C@@H](C(C)(C)O)CCN1c1ccc(C#N)c2ccccc12 Homo sapiens CHEMBL3404787 single protein format
CHEMBL436784 OBDepict O N H F F F N F F F F F F Ki = 1.5 nM 392.22 O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 Homo sapiens CHEMBL911185 cell-based format
CHEMBL220359 OBDepict O N N O H H OH + N O _ O Ki = 1.5 nM 327.3 O=C1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL913352 cell-based format
CHEMBL219198 OBDepict O N N O H H OH + N O _ O Ki = 1.5 nM 327.3 O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL913352 cell-based format
CHEMBL230052 OBDepict N Cl N O N O H H OH Ki = 1.5 nM 291.69 N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1Cl Homo sapiens CHEMBL887415 single protein format
CHEMBL467888 OBDepict H N O F F F N H H 3 C H OH H F F F Ki = 1.5 nM 394.31 C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 Homo sapiens CHEMBL896869 single protein format
CHEMBL229860 OBDepict H CH 3 N H N H OH O CH 3 Cl N Ki = 1.5 nM 305.77 Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C)ccc(C#N)c1Cl Homo sapiens CHEMBL888425 cell-based format
CHEMBL4095364 OBDepict N N CH 3 F F HO IC50 = 1.6 nM 234.21 Cn1c(C#N)ccc1-c1c(F)cc(O)cc1F Homo sapiens CHEMBL4040321 cell-based format
CHEMBL229916 OBDepict H N CH 3 H N H HO O CH 3 Cl N Ki = 1.6 nM 319.79 CC[C@@H]1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc(C#N)c(Cl)c1C Homo sapiens CHEMBL888425 cell-based format
CHEMBL227784 OBDepict O N H F F F O N Ki = 1.6 nM 324.3 O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1 Homo sapiens CHEMBL916638 cell-based format
CHEMBL374121 OBDepict O N N O + N O _ O Ki = 1.7 nM 311.3 O=C1C2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 Homo sapiens CHEMBL913352 cell-based format
CHEMBL440980 OBDepict F F N F F F N H F F F O Ki = 1.7 nM 374.23 O=c1cc(C(F)(F)F)c2cc(N(CC(F)F)CC(F)(F)F)ccc2[nH]1 Homo sapiens CHEMBL891115 single protein format
CHEMBL3623127 OBDepict N F F F N O O H H H 3 C O H 3 C H N H S O O CH 3 Ki = 1.7 nM 471.46 CCS(=O)(=O)N[C@@H]1C[C@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 Homo sapiens CHEMBL3624233 cell-based format
CHEMBL4100995 OBDepict N Cl N O H H H 3 C CH 3 H OH IC50 = 1.8 nM 278.74 CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 Homo sapiens CHEMBL4021499 single protein format
CHEMBL401711 OBDepict O O H 3 C H 3 C CH 3 O O N CH 3 H O IC50 = 1.9 nM 377.4 Cc1cc(=O)[nH]c2ccc3c4c(C(=O)OC(C)(C)C)cccc4oc(=O)c3c12 Homo sapiens CHEMBL930493 cell-based format
CHEMBL389250 OBDepict H N F F F H N O H OH CH 3 Cl N Ki = 1.9 nM 359.74 Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl Homo sapiens CHEMBL888425 cell-based format
CHEMBL519169 OBDepict N Cl CH 3 N N N H 3 C H H OH Ki = 1.9 nM 304.78 Cc1c(/N=C2N(C)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl Homo sapiens CHEMBL996725 cell-based format
CHEMBL184228 OBDepict H 3 C H CH 3 H OH O IC50 = 2.0 nM 300.44 CC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21 Homo sapiens CHEMBL874560 assay format
CHEMBL401458 OBDepict Cl Cl N N H OH F F F CH 3 CH 3 IC50 = 2.0 nM 327.13 CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F Homo sapiens CHEMBL903191 cell-based format
CHEMBL2112311 OBDepict H 3 C H H CH 3 N H O F F F O IC50 = 2.0 nM 311.3 CC[C@H]1c2cc3c(C(F)(F)F)cc(=O)oc3cc2NC[C@H]1C Homo sapiens CHEMBL648082 cell-based format
CHEMBL267270 OBDepict O O F F F N H F F F IC50 = 2.0 nM 337.22 O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3C(F)(F)F Homo sapiens CHEMBL648082 cell-based format
CHEMBL431493 OBDepict OH N F F F N H H H Ki = 2.0 nM 322.33 Oc1cc(C(F)(F)F)c2cc3c(cc2n1)NC[C@@H]1CCCC[C@H]31 Homo sapiens CHEMBL648839 single protein format
CHEMBL3898284 OBDepict N F F F N S O O H CH 3 H H Ki = 2.0 nM 368.38 C[C@@]12[C@@H]3C=C[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(C(F)(F)F)c1)S2(=O)=O Homo sapiens CHEMBL3869525 cell-based format
CHEMBL27769 OBDepict O H CH 3 H H H CH 3 H HO Ki = 2.0 nM 290.45 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL648839 single protein format
CHEMBL281945 OBDepict HO N F F F N H H CH 3 F F F Ki = 2.0 nM 378.32 C[C@H]1CNc2cc3nc(O)cc(C(F)(F)F)c3cc2C1CCC(F)(F)F Homo sapiens CHEMBL648839 single protein format
CHEMBL3623126 OBDepict N F F F N O O H H H 3 C O H 3 C H N H S O O N Ki = 2.0 nM 520.49 C[C@@]12C[C@@H](NS(=O)(=O)c3cccnc3)[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 Homo sapiens CHEMBL3624233 cell-based format
CHEMBL367364 OBDepict O N H O H F F F Ki = 2.0 nM 309.29 O=C1[C@H]2C3CCC(C3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL828881 cell-based format
CHEMBL229808 OBDepict H N N H HO O H 3 C Cl N Ki = 2.0 nM 291.74 Cc1c(N2C[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl Homo sapiens CHEMBL888425 cell-based format
CHEMBL3764185 OBDepict N Cl CH 3 N H H H 3 C OH Ki = 2.03 nM 264.76 Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl Homo sapiens CHEMBL3767965 cell-based format
CHEMBL229264 OBDepict N Cl CH 3 N O N O H H HO Ki = 2.1 nM 305.72 Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl Homo sapiens CHEMBL887415 single protein format
CHEMBL3410856 OBDepict N Cl CH 3 N H 3 C HO IC50 = 2.11 nM 290.79 Cc1c(N2C3CCC2CC(C)(O)C3)ccc(C#N)c1Cl Homo sapiens CHEMBL3411793 cell-based format