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Q9H7B4 | SMYD3_HUMAN | Histone-lysine N-methyltransferase SMYD3 (SMYD3)

3D structures mapped by conservation among orthologs

[ Domain: "SET domain-like" // zf-MYND,SET ]

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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
CHEMBL4551287 OBDepict F N N H H H S N O O NH O N O IC50 < 1.0 nM 519.64 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cncc(F)c3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4460507 OBDepict F N N H H H S N O O NH O N O IC50 < 1.0 nM 519.64 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(F)cn3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4549988 OBDepict Cl N N H H H S N O O NH O N O IC50 < 1.0 nM 536.1 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(Cl)cn3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4532881 OBDepict O HN N O N S O O H H HN CH 3 IC50 < 1.0 nM 514.69 Cc1ccccc1CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4559031 OBDepict Cl N H H H S N O O NH O N O IC50 < 1.0 nM 535.11 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(Cl)cc3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4472528 OBDepict F N H H H S N O O NH O N O IC50 < 1.0 nM 518.66 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cccc(F)c3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4465394 OBDepict O N H N O N S O O H H HN IC50 < 1.0 nM 500.67 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccc3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4452997 OBDepict H 3 C N H H F F F S N O O NH O N O IC50 < 1.0 nM 534.65 CN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4584383 OBDepict H S N O O N H O N O H HN F F F IC50 < 1.0 nM 506.59 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4460836 OBDepict H S N O O N H O N O H N H 3 C CH 3 IC50 < 1.0 nM 438.59 CN(C)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3797749 OBDepict NH 2 N S N O O H H H NH O Cl N H O IC50 = 1.0 nM 482.01 NC1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(cc2Cl)NC(=O)C4)C3)CC1 Homo sapiens CHEMBL3803119 assay format
CHEMBL3798741 OBDepict O NH Cl N H O H H N H S O O N F F F Ki = 1.2 nM 591.1 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCN(CCCC(F)(F)F)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803391 assay format
CHEMBL4594207 OBDepict F N H H H S N O O NH O N O IC50 = 1.3 nM 518.66 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccc(F)cc3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3798468 OBDepict O NH Cl N H O H H N H S N O O NH Ki = 1.3 nM 572.13 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(NCc4ccccc4)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803390 assay format
CHEMBL4573978 OBDepict O HN N O N S O O H H H 2 N IC50 = 1.6 nM 396.51 N[C@H]1CC[C@H](S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4515665 OBDepict O N H N O N S O O H H N H F IC50 = 2.5 nM 518.66 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccc3F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4521928 OBDepict O HN N O N S O O H H H 2 N IC50 = 2.5 nM 410.54 N[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4460946 OBDepict O N H N O N S O O H H N H F F F IC50 = 3.2 nM 520.62 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3798745 OBDepict O NH Cl N H O H H N H S O O H N H IC50 = 4.0 nM 481.02 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C[C@H]3CCCNC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803119 assay format
CHEMBL3799083 OBDepict O N H NH O H H N H S O O H H H 2 N IC50 = 4.0 nM 446.57 N[C@H]1CC[C@H](S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1 Homo sapiens CHEMBL3803119 assay format
CHEMBL3800480 OBDepict O NH Cl N H O H H N H S O O HN IC50 = 4.0 nM 481.02 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCNCC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803119 assay format
CHEMBL3799542 OBDepict O NH N H O H H N H S O O HN IC50 = 4.0 nM 446.57 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc2N1 Homo sapiens CHEMBL3803119 assay format
CHEMBL4586858 OBDepict H 3 C N N H H H S N O O NH O N O IC50 = 5.0 nM 515.68 Cc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(NC(=O)c4cc(C5CC5)on4)CC3)CC2)nc1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4587037 OBDepict CH 3 HN H H S N O O N H O N O IC50 = 5.0 nM 424.57 CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4460946 OBDepict O N H N O N S O O H H N H F F F Ki = 6.0 nM 520.62 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338954 single protein format
CHEMBL4476167 OBDepict O HN N O N S O O H H HN F F F IC50 = 6.3 nM 506.59 O=C(NC1CCN(S(=O)(=O)[C@H]2CC[C@H](NCCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4465232 OBDepict Cl N H H H S N O O NH O N O IC50 = 8.0 nM 535.11 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cccc(Cl)c3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4578147 OBDepict H 3 C N H H H S N O O NH O N O IC50 = 10.0 nM 514.69 Cc1cccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(NC(=O)c4cc(C5CC5)on4)CC3)CC2)c1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4437408 OBDepict O HN N O N S O O H H H 2 N IC50 = 10.0 nM 396.51 N[C@H]1CC[C@@H](S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4472479 OBDepict F N N H H H S N O O NH O N O IC50 = 10.0 nM 519.64 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cc(F)ccn3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4542517 OBDepict CH 3 O N O H CH 3 N O N Cl NH 2 IC50 = 11.7 nM 507.03 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C5(N)CC5)cc4)nc3c2)C[C@H]1C Homo sapiens CHEMBL4306860 single protein format
CHEMBL4536672 OBDepict O HN N O N S O O N IC50 = 16.0 nM 458.58 O=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCCC3)cc2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4563960 OBDepict H 3 C CH 3 HN H H S N O O N H O N O IC50 = 16.0 nM 466.65 CC(C)CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4535915 OBDepict O HN N O N S O O HN Ki = 17.0 nM 382.49 O=C(NC1CCN(S(=O)(=O)C2CCNCC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338954 single protein format
CHEMBL4476167 OBDepict O HN N O N S O O H H HN F F F Ki = 18.0 nM 506.59 O=C(NC1CCN(S(=O)(=O)[C@H]2CC[C@H](NCCCC(F)(F)F)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338954 single protein format
CHEMBL4578574 OBDepict H S N O O N H O N O H NH CH 3 CH 3 H 3 C IC50 = 20.0 nM 494.7 CC(C)(C)CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4527547 OBDepict H 3 C N H H H S N O O NH O N O IC50 = 20.0 nM 514.69 Cc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(NC(=O)c4cc(C5CC5)on4)CC3)CC2)cc1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4563628 OBDepict H 3 C N H H F F F S N O O NH O N O IC50 = 20.0 nM 548.67 CCN(CCCC(F)(F)F)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4476582 OBDepict O HN N O N S O O N IC50 = 20.0 nM 444.56 O=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCC3)cc2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4455165 OBDepict O N H N O N S O O H H HN N IC50 = 25.0 nM 501.65 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccn3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4544590 OBDepict NH 2 S N O O N H O N O IC50 = 25.0 nM 370.48 NCCCCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4584607 OBDepict NH 2 H H S N O O N H O N O IC50 = 25.0 nM 410.54 NC[C@H]1CC[C@H](S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3797524 OBDepict O N CH 3 NH O H H N H S O O HN IC50 = 26.0 nM 460.6 CN1C(=O)Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc21 Homo sapiens CHEMBL3803119 assay format
CHEMBL4565894 OBDepict H 3 C N H H H S N O O NH O N O IC50 = 32.0 nM 466.65 CCCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4535915 OBDepict O HN N O N S O O HN IC50 = 32.0 nM 382.49 O=C(NC1CCN(S(=O)(=O)C2CCNCC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4574989 OBDepict O N H N O N S O O H H N H Cl IC50 = 32.0 nM 535.11 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccccc3Cl)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4473729 OBDepict CH 3 HN H H S N O O N H O N O IC50 = 32.0 nM 452.62 CCCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4544413 OBDepict H 3 C HN H H S N O O N H O N O IC50 = 32.0 nM 438.59 CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3798741 OBDepict O NH Cl N H O H H N H S O O N F F F IC50 = 36.0 nM 591.1 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCN(CCCC(F)(F)F)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL4441105 OBDepict O HN N O N S O O H H HN H 3 C CH 3 H 3 C IC50 = 40.0 nM 480.68 CC(C)(C)CN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4449691 OBDepict O N H N O N S O O H H HN N IC50 = 40.0 nM 501.65 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3cccnc3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4557510 OBDepict O HN N O N S O O HN IC50 = 40.0 nM 368.46 O=C(NC1CCN(S(=O)(=O)C2CCNC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3798468 OBDepict O NH Cl N H O H H N H S N O O NH IC50 = 48.0 nM 572.13 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CCC(NCc4ccccc4)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL4558640 OBDepict CH 3 N S N O O N H O N O IC50 = 50.0 nM 396.51 CN1CCC(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4576240 OBDepict NH 2 S N O O N H O N O IC50 = 63.0 nM 404.49 NCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4521324 OBDepict CH 3 O N O N H H 3 C O N Cl H 2 N IC50 = 67.0 nM 458.99 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(CN)CC4)[C@@H](C)C1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL3798488 OBDepict O HN N H O N S O O NH IC50 = 70.0 nM 420.54 O=C1Cc2cc(C(=O)NC3CCN(S(=O)(=O)CC4CCNCC4)CC3)ccc2N1 Homo sapiens CHEMBL3803119 assay format
CHEMBL4436720 OBDepict CH 3 N CH 3 S N O O N H O N O IC50 = 79.0 nM 432.55 CN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3797585 OBDepict H 2 N S N O O N H O Cl HN O IC50 = 80.0 nM 414.92 NCCCS(=O)(=O)N1CCC(NC(=O)c2cc3c(cc2Cl)NC(=O)C3)CC1 Homo sapiens CHEMBL3803119 assay format
CHEMBL4447104 OBDepict O HN N O N S O O N IC50 = 100.0 nM 472.61 O=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCCCC3)cc2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4539611 OBDepict CH 3 N S N O O N H O N O IC50 = 100.0 nM 410.54 CCN1CCC(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4588080 OBDepict O HN N O N S O O N IC50 = 126.0 nM 410.54 O=C(NC1CCN(S(=O)(=O)CCCN2CCCC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL4475972 OBDepict CH 3 O N O N H H 3 C O N Cl IC50 = 140.0 nM 429.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@@H](C)C1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4527316 OBDepict O N H N O N S O O H H HN N IC50 = 158.0 nM 501.65 O=C(NC1CCN(S(=O)(=O)C[C@H]2CC[C@H](NCc3ccncc3)CC2)CC1)c1cc(C2CC2)on1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3797419 OBDepict H 2 N S N O O N H O HN O IC50 = 160.0 nM 380.47 NCCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1 Homo sapiens CHEMBL3803119 assay format
CHEMBL4472455 OBDepict CH 3 O N O H CH 3 N O N Cl IC50 = 170.0 nM 451.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)C[C@H]1C Homo sapiens CHEMBL4306860 single protein format
CHEMBL4450314 OBDepict CH 3 O N O N H H 3 C O N Cl IC50 = 250.0 nM 429.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)[C@H](C)C1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4575866 OBDepict CH 3 O N O N O N Cl NH O H 3 C IC50 = 250.0 nM 494.98 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C(=O)NC)cc4)nc3c2)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4440399 OBDepict CH 3 O N O N O N Cl O H 3 C IC50 = 260.0 nM 467.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(OC)cc4)nc3c2)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL3799643 OBDepict O N H Cl N H O H H N H S N O O N CH 3 CH 3 IC50 = 300.0 nM 510.06 CN(C)C1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(cc2Cl)NC(=O)C4)C3)CC1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL4551647 OBDepict CH 3 O N O N O N Cl IC50 = 300.0 nM 437.93 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccccc4)nc3c2)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4448008 OBDepict H 3 C O N O N O N Cl IC50 = 360.0 nM 429.95 CCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4530816 OBDepict CH 3 O N O N O N Cl IC50 = 370.0 nM 415.92 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4579512 OBDepict CH 3 O N O N O N Cl CH 3 IC50 = 370.0 nM 451.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C)cc4)nc3c2)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4584168 OBDepict CH 3 O N O N O N Cl H 2 N IC50 = 380.0 nM 444.96 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(CN)CC4)CC1 Homo sapiens CHEMBL4306860 single protein format
CHEMBL4467253 OBDepict NH 2 S N O O N H O N O IC50 = 398.0 nM 342.42 NCCS(=O)(=O)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 Homo sapiens CHEMBL4338950 cell-based format
CHEMBL3798404 OBDepict NH 2 N S N O O H H H HN O H 3 C N H O IC50 = 410.0 nM 461.59 Cc1cc2c(cc1C(=O)N[C@@H]1C[C@@H]3CC[C@H](C1)N3S(=O)(=O)N1CCC(N)CC1)CC(=O)N2 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL3797949 OBDepict CH 3 N H N S N O O H H H N H O Cl N H O IC50 = 420.0 nM 496.03 CNC1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(cc2Cl)NC(=O)C4)C3)CC1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL4542517 OBDepict CH 3 O N O H CH 3 N O N Cl NH 2 Ki = 440.0 nM 507.03 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)cc(-c4ccc(C5(N)CC5)cc4)nc3c2)C[C@H]1C Homo sapiens CHEMBL4306870 single protein format
CHEMBL3797708 OBDepict H 3 C N S N O O H H H NH O NH O IC50 = 480.0 nM 460.6 CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL3798134 OBDepict NH 2 N S N O O H H H NH O F N H O IC50 = 530.0 nM 465.55 NC1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4c(cc2F)NC(=O)C4)C3)CC1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL3797575 OBDepict O NH Cl N H O H H N H S O O H N H IC50 = 730.0 nM 481.02 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)C[C@@H]3CCCNC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL3798012 OBDepict HO N S N O O H H H NH O Cl NH O IC50 = 760.0 nM 539.1 O=C1Cc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)CC3CCN(CCCO)CC3)c(Cl)cc2N1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL3798006 OBDepict NH 2 N S N O O H H H NH O N H O IC50 = 850.0 nM 447.56 NC1CCN(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1 Homo sapiens CHEMBL3803120 cell-based format
CHEMBL4532072 OBDepict CH 3 O N O N O N Cl CH 3 IC50 = 1000.0 nM 429.95 CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(C)CC4)CC1 Homo sapiens CHEMBL4306860 single protein format