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Q16288 | NTRK3_HUMAN | NT-3 growth factor receptor (NTRK3)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_11 ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.22 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328639 single protein format
CHEMBL3673452 OBDepict CH 3 O O N NH 2 N N O CH 3 N N H 3 C IC50 = 0.503 nM 470.53 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1 Homo sapiens CHEMBL3705946 assay format
CHEMBL1980995 OBDepict H 3 C NH O O N CH 3 CH 3 N O N H IC50 = 0.525 nM 466.54 CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3707708 single protein format
CHEMBL3545365 OBDepict O NH N O F F N H O NH O F IC50 = 0.83 nM 510.47 O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1 Homo sapiens CHEMBL3857928 single protein format
CHEMBL4211921 OBDepict O N H O O N O NH 2 F F F N N CH 3 IC50 = 1.0 nM 489.45 Cn1cc(-c2ccc(O[C@@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C3)c(C(N)=O)n2)cn1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL4790022 OBDepict O HN N Cl O N H 2 N N N CH 3 CH 3 IC50 = 1.0 nM 448.91 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL4856292 OBDepict F F H N N N N N H N O H OH IC50 = 1.0 nM 428.44 O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 Homo sapiens CHEMBL4840466 cell-based format
CHEMBL3582439 OBDepict F H N N N N N IC50 = 1.0 nM 359.41 Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4ccccn4)n3n2)c1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL3582441 OBDepict OH O N N N N N N N H F IC50 < 1.0 nM 501.57 O=C(O)CN1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL3666254 OBDepict O HN N Cl O N N N CH 3 CH 3 NH 2 IC50 = 1.0 nM 448.91 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL4210892 OBDepict CH 3 N N N O O H 2 N H H F N O O F F F IC50 = 1.1 nM 521.47 Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL3671311 OBDepict CH 3 N CH 3 N O N N H NH O N H H 3 C H F F F F IC50 = 1.585 nM 542.54 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O Homo sapiens CHEMBL3707708 single protein format
CHEMBL4787950 OBDepict F F N N H N IC50 = 1.9 nM 347.37 Fc1cc(F)cc(Cc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4743163 OBDepict H N H 3 C CH 3 F N F N N NH N O H 3 C CH 3 CH 3 CH 3 IC50 = 1.9 nM 430.5 CC(C)N(C(=O)Nc1cnn2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc12)C(C)C Homo sapiens CHEMBL4678166 single protein format
CHEMBL4748276 OBDepict HO N CH 3 H 3 C N O H 2 N N N N H O Cl IC50 = 2.0 nM 478.94 CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL4792981 OBDepict F F NH H 3 C H N N H N IC50 = 2.0 nM 376.41 C[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL3582440 OBDepict OH N N N N N N H F IC50 = 2.0 nM 458.54 OC1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL3582442 OBDepict HO N N N N N N H F IC50 = 2.0 nM 458.54 OC1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL4207042 OBDepict H 3 C N H O N O NH 2 H N F F O O F F F IC50 = 2.2 nM 474.39 CNC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2(F)F)c1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL4215846 OBDepict CH 3 N N O O H 2 N N O O F F F IC50 = 2.3 nM 502.49 Cn1cnc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)c1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL4763430 OBDepict F F N CH 3 H H 3 C N N N N H N O H HO IC50 = 2.3 nM 416.43 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL4784645 OBDepict F F NH H 3 C H N N N N H N O H OH IC50 = 2.3 nM 402.41 C[C@@H](Nc1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F Homo sapiens CHEMBL4678166 single protein format
CHEMBL4795791 OBDepict O N H NH N N N N HO H 3 C CH 3 H F F IC50 = 2.6 nM 438.44 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL3671309 OBDepict H 3 C N N O N N H HN O N H CH 3 H F F F F IC50 = 2.601 nM 568.58 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O Homo sapiens CHEMBL3707708 single protein format
CHEMBL4794404 OBDepict H 3 C N N N H O N S CH 3 N H N N IC50 = 2.62 nM 473.61 Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL4774750 single protein format
CHEMBL4785469 OBDepict F F NH N N H N IC50 = 2.7 nM 362.38 Fc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4782515 OBDepict F F O N N H N IC50 = 2.7 nM 363.37 Fc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4795019 OBDepict F NH N N H N IC50 = 2.7 nM 344.39 Fc1cccc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4447582 OBDepict CH 3 N N N H H 3 C CH 3 O H 3 C N N N NH 2 IC50 = 2.95 nM 597.77 Cc1c(C#Cc2cnc3cnc(-c4ccc(N)cc4)cn23)cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(C(C)C)c1 Homo sapiens CHEMBL4354364 assay format
CHEMBL4212531 OBDepict HO N CH 3 H 3 C N O H 2 N N N N H O N Cl IC50 = 3.0 nM 479.93 CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL2172308 OBDepict CH 3 N H CH 3 O H H N N N H O N F OH H 3 C H 3 C IC50 < 3.0 nM 577.75 CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 Homo sapiens CHEMBL4330193 single protein format
CHEMBL3582438 OBDepict N N N N N H F IC50 = 3.0 nM 383.43 N#Cc1ccc(-c2cnc3ccc(N4CCC[C@@H]4c4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL3661464 OBDepict O HN N Cl O N N N CH 3 CH 3 IC50 = 3.0 nM 433.9 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL3582432 OBDepict O N H O N N N N H F IC50 = 3.0 nM 445.5 O=C(Nc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1)C1CCOCC1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL1983268 OBDepict H 3 C N N NH HN O N O N H F F IC50 = 3.0 nM 560.65 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1 Homo sapiens CHEMBL3807305 cell-based format
CHEMBL4783042 OBDepict H N H CH 3 F N F N N HN N O H 3 C H 3 C H 3 C CH 3 IC50 = 3.3 nM 416.48 CC(C)N(C(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12)C(C)C Homo sapiens CHEMBL4678166 single protein format
CHEMBL4203759 OBDepict O N H F H O O F F F O O NH 2 OH H 3 C H 3 C IC50 = 3.9 nM 528.5 CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2F)c1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL3666257 OBDepict H 2 N N N N CH 3 H 3 C O N N H O N N IC50 = 4.0 nM 444.5 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL3582433 OBDepict F N H N N N S O O NH 2 IC50 = 4.0 nM 397.44 NS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL4744936 OBDepict O N H HN N F F O N H 2 N N N CH 3 CH 3 IC50 = 4.0 nM 451.44 CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL104333 OBDepict H 3 C O N CH 3 O N H S O O NH 2 IC50 = 4.1 nM 383.43 COc1ccc2c(c1)c(/C=C1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C Homo sapiens CHEMBL4765715 single protein format
CHEMBL4579323 OBDepict H 3 C N H N O N CH 3 H 3 C N N N H 2 N IC50 = 4.1 nM 583.74 CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(-c5ccc(N)cc5)cn34)c2C)c1 Homo sapiens CHEMBL4354364 assay format
CHEMBL104519 OBDepict CH 3 O N CH 3 O N H S N H O O H 3 C IC50 = 4.25 nM 397.46 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2 Homo sapiens CHEMBL4765715 single protein format
CHEMBL4161036 OBDepict H 3 C N N N H F F F O CH 3 N N N IC50 = 4.35 nM 532.57 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4354364 assay format
CHEMBL3326006 OBDepict CH 3 N H N N N H H OH N N H 3 C IC50 = 4.38 nM 476.67 CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 Homo sapiens CHEMBL3363359 single protein format
CHEMBL4783132 OBDepict N F NH N N H N IC50 = 4.5 nM 369.4 N#Cc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4780049 OBDepict F Cl NH N N H N IC50 = 4.9 nM 378.84 Fc1cc(Cl)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4218103 OBDepict O N NH O O F F F O NH 2 N N CH 3 IC50 = 5.0 nM 503.48 Cn1cc(-c2ccc(OC3CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL3955023 OBDepict O N H N N N F F F O N N H 3 C CH 3 IC50 = 5.0 nM 456.43 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cnccc21 Homo sapiens CHEMBL4681386 cell-based format
CHEMBL3989939 OBDepict OH S O O HO F F H N N N N N H N O H OH IC50 <= 5.0 nM 526.52 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O Homo sapiens CHEMBL4349445 cell-based format
CHEMBL4797186 OBDepict F S F N N H N IC50 = 5.4 nM 365.41 Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4777099 OBDepict F O F N N H N IC50 = 5.6 nM 363.37 Fc1cc(F)cc(OCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4091670 OBDepict Br N N N NH 2 NH NH 2 IC50 = 5.9 nM 369.23 N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1 Homo sapiens CHEMBL3997608 single protein format
CHEMBL4796220 OBDepict CH 3 F NH N N H N IC50 = 5.9 nM 358.42 Cc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL3582429 OBDepict N N N N N H F IC50 = 6.0 nM 343.37 N#Cc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL104279 OBDepict O N H N S H 3 C O O H 2 N IC50 = 6.86 nM 353.4 Cn1cc(/C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21 Homo sapiens CHEMBL4765715 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 7.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261433 single protein format
CHEMBL457614 OBDepict CH 3 O H 3 C N H N N H N Cl N N H H 3 C H N F IC50 = 7.2 nM 391.84 CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1 Homo sapiens CHEMBL3997039 cell-based format
CHEMBL4800232 OBDepict CH 3 O F NH N N H N IC50 = 7.5 nM 374.42 COc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4778721 OBDepict F O F N N H N IC50 = 7.8 nM 349.34 Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4787602 OBDepict F Br NH N N H N IC50 = 8.0 nM 423.29 Fc1cc(Br)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL3582436 OBDepict N N N N N F IC50 = 8.0 nM 383.43 N#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL4283353 OBDepict CH 3 N H H 3 C H N N N H H OH N N H 3 C IC50 = 8.4 nM 504.72 CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 Homo sapiens CHEMBL4276357 assay format
CHEMBL4208510 OBDepict O N O O N F F F O NH 2 N N CH 3 IC50 = 8.4 nM 503.48 Cn1cc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)n2)cn1 Homo sapiens CHEMBL4195801 cell-based format
CHEMBL106226 OBDepict CH 3 O N H O N H S O O H 2 N IC50 = 8.82 nM 369.4 COc1ccc2[nH]cc(/C=C3C(=O)Nc4ccc(S(N)(=O)=O)cc43)c2c1 Homo sapiens CHEMBL4765715 single protein format
CHEMBL4862017 OBDepict F F N CH 3 H 3 C N NH N H O N O IC50 = 9.0 nM 467.52 CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1Cc1cc(F)cc(F)c1 Homo sapiens CHEMBL4840466 cell-based format
CHEMBL4786112 OBDepict F HN F N N H N IC50 = 9.5 nM 362.38 Fc1cc(F)cc(NCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4798255 OBDepict OH N CH 3 O N H S N O O H 3 C H 3 C IC50 = 9.72 nM 397.46 CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(O)cc13)C(=O)N2 Homo sapiens CHEMBL4765715 single protein format
CHEMBL4779607 OBDepict F F N CH 3 N N H N IC50 = 9.9 nM 376.41 CN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4549982 OBDepict F HN O NH 2 N N N N H F F IC50 < 10.0 nM 452.44 Nc1nn2cc(N3CCC[C@@H]3c3cc(F)ccc3F)cnc2c1C(=O)Nc1ccc(F)cc1 Homo sapiens CHEMBL4349457 assay format
CHEMBL4469681 OBDepict F F H N N N N H 2 N O H 2 N IC50 < 10.0 nM 358.35 NC(=O)c1c(N)nn2cc(N3CCC[C@@H]3c3cc(F)ccc3F)cnc12 Homo sapiens CHEMBL4349457 assay format
CHEMBL4866306 OBDepict O N H N N N H N CH 3 CH 3 O F F IC50 = 10.0 nM 467.52 CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1Cc1cccc(F)c1F Homo sapiens CHEMBL4840466 cell-based format
CHEMBL3582434 OBDepict N N N N N F IC50 = 11.0 nM 397.46 N#Cc1ccc(-c2cnc3ccc(N4CCCCC4c4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL4849505 OBDepict H 3 C N N N H O N N H N CH 3 H 3 C F F IC50 = 11.0 nM 480.56 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(Cc3cc(F)cc(F)c3)C4(C)C)cc2)CC1 Homo sapiens CHEMBL4840466 cell-based format
CHEMBL4467462 OBDepict CH 3 N N NH F F F O CH 3 N N N IC50 = 11.46 nM 532.57 Cc1c(C#Cc2cnc3cnccn23)cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL4354364 assay format
CHEMBL4587651 OBDepict CH 3 N N N H F F F O N N N IC50 = 11.48 nM 518.54 CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4354364 assay format
CHEMBL322153 OBDepict H 3 C O N CH 3 O N H S N O O H 3 C H 3 C IC50 = 11.67 nM 411.48 COc1ccc2c(c1)c(/C=C1C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc31)cn2C Homo sapiens CHEMBL4765715 single protein format
CHEMBL4800162 OBDepict F F N N H N IC50 = 12.4 nM 361.4 Fc1cc(F)cc(CCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 13.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479758 assay format
CHEMBL4856835 OBDepict H 3 C N N N H O N N H N CH 3 H 3 C F F IC50 = 13.0 nM 480.56 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(Cc3cccc(F)c3F)C4(C)C)cc2)CC1 Homo sapiens CHEMBL4840466 cell-based format
CHEMBL4795806 OBDepict H N N HN N IC50 = 13.2 nM 326.4 C(=C/c1n[nH]c2ccc(NCc3ccccc3)cc12)c1ccccn1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4446455 OBDepict CH 3 N N N H CH 3 O CH 3 N N N NH 2 IC50 = 14.55 nM 569.71 Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(C#Cc3cnc4cnc(-c5ccc(N)cc5)cn34)c2C)c1 Homo sapiens CHEMBL4354364 assay format
CHEMBL4759162 OBDepict H 3 C N CH 3 N H 3 C NH O N N N N CH 3 CH 3 H F F IC50 = 16.0 nM 431.49 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL4856177 OBDepict H 3 C N N N N H N N N N CH 3 H 3 C CH 3 IC50 = 16.9 nM 492.63 CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C Homo sapiens CHEMBL4830412 single protein format
CHEMBL4168305 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N N IC50 = 18.0 nM 560.62 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151627 single protein format
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N IC50 = 18.0 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3129252 single protein format
CHEMBL4777109 OBDepict F F N CH 3 H H 3 C N N N N H N S H HO IC50 = 19.0 nM 432.5 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=S)N3CC[C@H](O)C3)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL3582435 OBDepict N N N N N O F IC50 = 19.0 nM 399.43 N#Cc1ccc(-c2cnc3ccc(N4CCOCC4c4cccc(F)c4)nn23)cc1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL3580682 OBDepict N N N N N H 3 C IC50 = 20.0 nM 339.4 CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1 Homo sapiens CHEMBL3582856 cell-based format
CHEMBL4793380 OBDepict O NH N H N O H 3 C H 3 C CH 3 N H N O N HN IC50 = 20.0 nM 423.48 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 Homo sapiens CHEMBL4767018 single protein format
CHEMBL4762176 OBDepict HO N N H O N N N N H CH 3 H F F IC50 = 21.0 nM 430.46 C[C@@H](Nc1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1)c1cc(F)ccc1F Homo sapiens CHEMBL4678166 single protein format
CHEMBL3889654 OBDepict F F H N N N N N H N O H OH IC50 = 24.0 nM 428.44 O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 Homo sapiens CHEMBL3861740 cell-based format
CHEMBL4791453 OBDepict OH N NH O N N N N H 3 C CH 3 H F F IC50 = 25.0 nM 444.49 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CCCC(CO)C3)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL4776591 OBDepict F F N CH 3 N N H N IC50 = 25.0 nM 362.38 CN(c1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4782487 OBDepict CH 3 N N N H O N N N N H 3 C CH 3 H F F IC50 = 26.0 nM 429.48 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CCN(C)CC3)c2n1 Homo sapiens CHEMBL4678166 single protein format
CHEMBL4777347 OBDepict F F N H 3 C N N H N IC50 = 28.7 nM 376.41 CN(Cc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL2037208 OBDepict O N H N N H H N H O F F F IC50 = 29.0 nM 488.47 O=C1Nc2cc(Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1 Homo sapiens CHEMBL2038862 single protein format
CHEMBL4780099 OBDepict F F NH H 3 C H N N H N IC50 = 30.0 nM 376.41 C[C@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1 Homo sapiens CHEMBL4772614 single protein format
CHEMBL4874046 OBDepict CH 3 N H O N H N N N H F F F O CH 3 IC50 = 30.09 nM 417.39 CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3OC)n2)cc1 Homo sapiens CHEMBL4824346 single protein format
CHEMBL4745371 OBDepict HO N N H O N N N N CH 3 H 3 C H F F IC50 = 36.0 nM 402.41 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1 Homo sapiens CHEMBL4678166 single protein format