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P07947 | YES_HUMAN | Tyrosine-protein kinase Yes (YES1)

3D structures mapped by conservation among orthologs

[ Domain: "SH3" // SH3_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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -36400.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804383 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -8400.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804383 cell-based format
CHEMBL400402 OBDepict OH Cl H 3 C N N N N H O N IC50 = 0.3 nM 475.98 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 0.4 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL1244321 single protein format
CHEMBL3824089 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N H 3 C CH 3 IC50 < 0.5 nM 510.64 COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3824532 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 0.5 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL912341 single protein format
CHEMBL3651257 OBDepict HO Cl H 3 C N N N N H O N IC50 = 0.7 nM 475.98 Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1Cl Homo sapiens CHEMBL3707872 single protein format
CHEMBL3426225 OBDepict H 3 C N N N N NH 2 CH 3 N H O F F F N N CH 3 IC50 = 0.8 nM 576.63 CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21 Homo sapiens CHEMBL3429869 single protein format
CHEMBL3647967 OBDepict CH 2 HN O H H N N N N H 2 N O IC50 = 0.8 nM 454.53 C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3887543 single protein format
CHEMBL1171837 OBDepict H 3 C N N F F F N H O CH 3 N N N IC50 = 0.89 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4721779 single protein format
CHEMBL495727 OBDepict O NH NH N N H N N H N O IC50 = 1.0 nM 381.44 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 Homo sapiens CHEMBL1009922 single protein format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 1.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766143 single protein format
CHEMBL436137 OBDepict CH 3 CH 3 CH 3 N N N N H O N IC50 = 1.0 nM 453.59 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Homo sapiens CHEMBL908983 single protein format
CHEMBL3651296 OBDepict CH 3 CH 3 CH 3 N N N N H O IC50 = 1.2 nM 452.6 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCC4CCCC4)cc3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL3651228 OBDepict CH 3 N H 3 C N H O N H N N N CH 3 Cl HO IC50 = 1.24 nM 476.97 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(C(=O)NCCN(C)C)c3)nc12 Homo sapiens CHEMBL3707872 single protein format
CHEMBL249821 OBDepict HO Cl CH 3 N N N N H S HN O O N IC50 = 1.3 nM 539.06 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL522892 OBDepict CH 3 N N N N H NH 2 O N H F IC50 = 1.4 nM 392.44 CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL1738757 OBDepict CH 3 HN O N O F N H N H O N N CH 3 CH 3 H 3 C N IC50 = 1.5 nM 553.6 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL364623 OBDepict CH 3 N N H N H 3 C N S N H O H 3 C Cl IC50 = 2.0 nM 373.87 Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1 Homo sapiens CHEMBL912341 single protein format
CHEMBL2336005 OBDepict OH NH S N N O IC50 = 2.1 nM 417.53 Oc1cccc(Nc2ccnc3cc(-c4cccc(CN5CCOCC5)c4)sc23)c1 Homo sapiens CHEMBL3707680 cell membrane format
CHEMBL3651297 OBDepict CH 3 N O CH 3 N H N N N CH 3 CH 3 CH 3 IC50 = 2.6 nM 441.58 CCN(CC)COc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL218102 OBDepict CH 3 N H 3 C O N H N N N CH 3 CH 3 CH 3 IC50 = 2.6 nM 455.61 CCN(CC)CCOc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 Homo sapiens CHEMBL3883088 single protein format
CHEMBL217090 OBDepict Cl N H O O N N O O O N IC50 = 3.0 nM 527.02 Clc1ccc2c(c1Nc1ncnc3cc(OCCCN4CCCC4)cc(OC4CCOCC4)c13)OCO2 Homo sapiens CHEMBL854965 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 = 3.0 nM 391.84 CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL231218 OBDepict CH 3 H 3 C H 3 C N N N N H S HN O O N IC50 = 3.1 nM 516.67 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL218549 OBDepict CH 3 H 3 C H 3 C N N N N H O N IC50 = 3.7 nM 453.59 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OCCN4CCCC4)c3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL217092 OBDepict H 3 C N N O O N N HN O Cl O O IC50 = 4.0 nM 542.04 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 Homo sapiens CHEMBL854965 single protein format
CHEMBL250625 OBDepict OH Cl CH 3 N N N HN S O O HN IC50 = 4.1 nM 510.02 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 4.4 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3820678 single protein format
CHEMBL250213 OBDepict OH Cl H 3 C N N N N H N IC50 = 4.8 nM 474.01 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL250214 OBDepict OH Cl H 3 C N N N N H N O HN IC50 = 5.2 nM 474.95 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL256101 OBDepict Cl Cl CH 3 N N N N H O + N _ O Ki = 5.97 nM 510.43 Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12 Homo sapiens CHEMBL922440 single protein format
CHEMBL1873475 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 6.5 nM 440.51 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL3887543 single protein format
CHEMBL3648061 OBDepict O N H N S N H N N N N CH 3 CH 3 CH 3 IC50 = 7.3 nM 487.63 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(C(=O)NCCN4CCCC4)cs3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL230614 OBDepict CH 3 N N O N H N N N CH 3 CH 3 CH 3 IC50 = 7.7 nM 482.63 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL293712 OBDepict H 3 C NH S O O HN O N H N N CH 3 IC50 = 10.0 nM 497.67 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(C)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL52513 OBDepict H 3 C N H S O O N H O N H N H 3 C CH 3 IC50 = 10.0 nM 442.59 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL56109 OBDepict OH N N N H O N H S N H O O H 3 C IC50 = 10.0 nM 527.69 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CCO)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL56569 OBDepict H 3 C N H S O O N H O N H O NH 2 IC50 = 10.0 nM 428.51 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL292930 OBDepict H 3 C NH S O O HN O N H N N O OH IC50 = 10.0 nM 541.67 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CC(=O)O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL230686 OBDepict Cl Cl H 3 C N N N N H O N IC50 = 10.0 nM 494.43 Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL55496 OBDepict H 3 C NH S O O HN O N H N OH IC50 = 10.0 nM 498.65 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCC(O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL300853 OBDepict H 3 C S O O HN O N H N N O OH IC50 = 10.0 nM 540.69 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CC(=O)O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 12.0 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727432 single protein format
CHEMBL3823861 OBDepict CH 3 N H 3 C N N N N N H 2 N N N H IC50 = 12.0 nM 419.54 CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3824532 single protein format
CHEMBL230686 OBDepict Cl Cl H 3 C N N N N H O N Ki = 12.9 nM 494.43 Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL905847 single protein format
CHEMBL587723 OBDepict CH 3 N N N H N N N H CH 3 H IC50 = 13.1 nM 440.6 CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL3648058 OBDepict O N H O HN N N N N CH 3 CH 3 H 3 C IC50 = 18.3 nM 470.58 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)NCCN4CCCC4)o3)nnc2c1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL3928976 OBDepict Cl O NH 2 N CH 3 H N O O N OH H 3 C H 3 C Cl IC50 = 19.0 nM 587.46 Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O Homo sapiens CHEMBL4672813 single protein format
CHEMBL298566 OBDepict H 3 C S O O HN O N H N OH IC50 = 20.0 nM 497.66 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCC(O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL291759 OBDepict H 3 C O O N N N H O N H S N H O O H 3 C IC50 = 20.0 nM 569.73 CCOC(=O)CN1CCN(CCCc2c(/C=C3C(=O)Nc4ccc(S(=O)(=O)NC)cc43)[nH]c3c2CCCC3)CC1 Homo sapiens CHEMBL821048 single protein format
CHEMBL605003 OBDepict O HN N H S N O O H 3 C CH 3 IC50 = 20.0 nM 371.46 CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 Homo sapiens CHEMBL936825 single protein format
CHEMBL59042 OBDepict H 3 C S O O N H O N H N H 3 C CH 3 IC50 = 20.0 nM 441.6 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL4103954 OBDepict O N H CH 3 H N N N H 2 N F HN O N F F F IC50 = 21.0 nM 581.57 C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 Homo sapiens CHEMBL4717052 single protein format
CHEMBL218632 OBDepict CH 3 HN N N N O CH 3 HN O F F F IC50 = 22.0 nM 479.46 CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL268825 OBDepict Cl CH 3 N N N N H O N IC50 = 22.0 nM 459.98 Cc1cc(-c2ccccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL1778662 OBDepict N NH N CH 3 H 3 C N H N N OH CH 3 CH 3 H H 3 C ClH Ki = 24.0 nM 392.94 Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)n[nH]1.Cl Homo sapiens CHEMBL1781459 single protein format
CHEMBL478629 OBDepict N O N N N N IC50 = 29.8 nM 399.5 c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL3355065 OBDepict CH 3 NH N O F F F N HN IC50 = 30.0 nM 454.5 CNc1cc2ccc(C#CCOc3ccc(CN4CCNCC4)c(C(F)(F)F)c3)cc2cn1 Homo sapiens CHEMBL3379620 single protein format
CHEMBL4108687 OBDepict O O N H 3 C CH 3 H H N N N H 2 N N H O N F F F IC50 = 30.0 nM 565.56 CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 Homo sapiens CHEMBL4727432 single protein format
CHEMBL301271 OBDepict H 3 C S O O N H O N H O NH 2 IC50 = 30.0 nM 427.53 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL296185 OBDepict H 3 C NH S O O HN O N H N O IC50 = 30.0 nM 484.62 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL54283 OBDepict H 3 C S O O HN O N H N N CH 3 IC50 = 30.0 nM 496.68 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(C)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL4077588 OBDepict F N HN O N H 2 N N N H N F F F O IC50 = 32.0 nM 583.59 Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057978 single protein format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 35.0 nM 537.5 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727432 single protein format
CHEMBL306380 OBDepict CH 3 N N NH 2 N N CH 3 CH 3 H 3 C IC50 = 36.0 nM 281.36 Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3824532 single protein format
CHEMBL4076024 OBDepict CH 3 O N O H N N N H 2 N F N H O N F F F IC50 = 37.0 nM 571.54 COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057978 single protein format
CHEMBL57143 OBDepict OH N N N H O N H S O O H 3 C IC50 = 40.0 nM 526.7 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CCO)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL301143 OBDepict H 3 C N H S O O N H O N H N O IC50 = 40.0 nM 456.57 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CN1CCOCC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL4799627 OBDepict O N CH 3 O H N N N NH 2 F N H O N F F F IC50 = 43.0 nM 597.57 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717052 single protein format
CHEMBL3808884 OBDepict CH 3 O O N H N N H CH 3 N H O N F F F N H 3 C IC50 = 44.0 nM 562.55 COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 Homo sapiens CHEMBL3811757 assay format
CHEMBL2144069 OBDepict N CH 3 CH 3 N H O NH H 3 C N O N CH 3 IC50 = 51.2 nM 451.53 Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL4114929 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O IC50 = 54.0 nM 565.56 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL4727432 single protein format
CHEMBL4095253 OBDepict CH 2 S N O O H N N N H 2 N O O IC50 = 57.3 nM 427.49 C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 Homo sapiens CHEMBL4058130 cell-based format
CHEMBL4060757 OBDepict F N NH O N NH 2 N N H O N F F F O IC50 = 60.0 nM 585.56 Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057978 single protein format
CHEMBL3823212 OBDepict CH 3 N CH 3 N N N N N H 2 N H 3 C IC50 = 71.0 nM 379.51 Cc1ccc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3824532 single protein format
CHEMBL4062498 OBDepict CH 3 O N O O H N N N H 2 N F N H O N F F F IC50 = 73.0 nM 573.51 COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057978 single protein format
CHEMBL3893914 OBDepict N CH 3 N H N N H O N N H 3 C H N CH 3 Ki = 79.0 nM 363.43 Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1 Homo sapiens CHEMBL3871921 single protein format
CHEMBL4525187 OBDepict H 2 N N N N H N O H O IC50 = 86.0 nM 441.54 Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1 Homo sapiens CHEMBL4347067 single protein format
CHEMBL4862806 OBDepict CH 3 N N N H 2 N CH 3 NH O F F F F F F IC50 = 95.0 nM 543.47 Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N Homo sapiens CHEMBL4839601 single protein format
CHEMBL230685 OBDepict H 3 C N N N N H O N IC50 = 110.0 nM 425.54 Cc1cc(-c2ccccc2)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL932927 single protein format
CHEMBL2177736 OBDepict NH 2 O N NH N HN H N H H 2 N N N IC50 = 123.0 nM 393.45 NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3707682 single protein format
CHEMBL4755698 OBDepict H 2 C N O N N N H 2 N O O IC50 = 145.9 nM 405.46 C=CC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL4720253 single protein format
CHEMBL55594 OBDepict H 3 C S O O N H O N H N O IC50 = 160.0 nM 455.58 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CN1CCOCC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL821048 single protein format
CHEMBL2333602 OBDepict H 3 C N N N CH 3 N CH 3 O N O H N N H IC50 = 160.4 nM 467.53 CCCCn1c(-c2cc(-c3cccc4[nH]ncc34)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL2344634 single protein format
CHEMBL4069387 OBDepict O N CH 3 H 3 C H N N N H 2 N F N H O N F F F IC50 = 189.0 nM 569.56 CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057978 single protein format
CHEMBL1952329 OBDepict CH 3 N NH N N N O F F F IC50 = 240.0 nM 405.42 CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Homo sapiens CHEMBL2411892 single protein format
CHEMBL1276179 OBDepict F N F N N H N H N CH 3 N N N H IC50 = 246.0 nM 534.57 CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1 Homo sapiens CHEMBL1285881 single protein format
CHEMBL4075954 OBDepict O N CH 3 H 3 C O H N N N H 2 N F N H O N F F F IC50 = 266.0 nM 571.54 CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057978 single protein format
CHEMBL2333603 OBDepict H 3 C N N N CH 3 N CH 3 O N O H IC50 = 284.0 nM 351.41 CCCCn1c(-c2ccccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL2344634 single protein format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = 300.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804383 cell-based format
CHEMBL3823849 OBDepict H 3 C N CH 3 N N N N N NH 2 CH 3 IC50 = 344.0 nM 393.54 Cc1ccc(-c2nn(CCN3CCC(CN(C)C)CC3)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3824532 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 384.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261435 single protein format
CHEMBL4107779 OBDepict O N H H N N N H 2 N O N H O N F F F IC50 = 430.0 nM 591.59 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC3CC3)c12 Homo sapiens CHEMBL4727432 single protein format
CHEMBL3651269 OBDepict OH N H N N N CH 3 Cl Cl IC50 = 465.0 nM 397.27 Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(O)cc3)nc12 Homo sapiens CHEMBL3883088 single protein format
CHEMBL3651299 OBDepict OH N H N N N Cl Cl IC50 = 465.0 nM 383.24 Oc1ccc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)ccc3n2)cc1 Homo sapiens CHEMBL3707872 single protein format
CHEMBL3617732 OBDepict CH 3 N H O N H N N N H N N H Ki = 470.0 nM 377.45 CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 Homo sapiens CHEMBL3619918 single protein format
CHEMBL50 OBDepict OH OH O O HO HO HO Ki = 472.0 nM 302.24 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL4610178 single protein format
CHEMBL2333595 OBDepict H 3 C N N N CH 3 N CH 3 O N F O H IC50 = 496.0 nM 369.4 CCCCn1c(-c2ccc(F)cc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL2344634 single protein format
CHEMBL515414 OBDepict OH N N O F N H 2 N H 3 C IC50 = 510.0 nM 342.37 Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL1061196 single protein format