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Q96KB5 | TOPK_HUMAN | Lymphokine-activated killer T-cell-originated protein kinase (PBK)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL4445123 OBDepict H 2 N H 3 C H HO N CH 3 H O IC50 = 0.5 nM 358.44 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4452726 OBDepict CH 3 O N H OH H 3 C NH 2 CH 3 H IC50 = 1.56 nM 358.44 Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)N)cc4)c3c2c1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3672295 OBDepict H 2 N CH 3 H HO N CH 3 H S O IC50 = 2.6 nM 364.47 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL4261716 assay format
CHEMBL4440222 OBDepict OH Cl N H O NH 2 CH 3 H IC50 = 2.71 nM 364.83 C[C@@H](N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4527920 OBDepict HO CH 3 N H O H 2 N CH 3 H IC50 = 2.94 nM 344.41 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4564624 OBDepict NH 2 CH 3 H OH N Cl H O IC50 = 4.59 nM 378.86 C[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3715360 OBDepict O HN N H N N H NH S N HN IC50 = 5.2 nM 411.54 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCNCC4)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3716544 OBDepict O N H N N N H NH 2 IC50 = 5.3 nM 351.45 NC12CC3CC(C1)CC(NC(=O)c1ccnc4[nH]c(C5CC5)nc14)(C3)C2 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4536593 OBDepict H 2 N H 3 C H O H 3 C N CH 3 H O IC50 = 5.44 nM 372.47 COc1cc(C)c2[nH]c(=O)c3ccccc3c2c1-c1ccc([C@@H](C)CN)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4452595 OBDepict NH 2 CH 3 H OH N H 3 C H O CH 3 IC50 = 6.44 nM 372.47 Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)CN)cc4)c3c2c1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4537262 OBDepict NH 2 H 3 C H OH N H 3 C H S O ClH IC50 = 10.69 nM 400.93 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12.Cl Homo sapiens CHEMBL4384180 single protein format
CHEMBL4469640 OBDepict H 3 C N CH 3 CH 3 H OH N H 3 C H O CH 3 IC50 = 19.06 nM 400.52 Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)CN(C)C)cc4)c3c2c1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4455498 OBDepict CH 3 N H 3 C H 3 C H HO N CH 3 H O H 3 C IC50 = 20.88 nM 386.5 Cc1ccc2c(=O)[nH]c3c(C)cc(O)c(-c4ccc([C@@H](C)N(C)C)cc4)c3c2c1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4593398 OBDepict H N N F F F N N N H IC50 = 21.0 nM 357.34 FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2 Homo sapiens CHEMBL4360652 single protein format
CHEMBL3672271 OBDepict HO CH 3 N H S O H 2 N CH 3 H IC50 = 23.0 nM 350.44 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3715388 OBDepict O N H N N N H NH 2 S IC50 = 24.0 nM 393.52 NC12CC3CC(C1)CC(NC(=O)c1ccnc4nc(-c5cccs5)[nH]c14)(C3)C2 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4458265 OBDepict NH 2 HO N CH 3 H O IC50 = 25.1 nM 370.45 Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4438486 OBDepict H 3 C N CH 3 CH 3 H OH N Cl H O IC50 = 26.13 nM 392.89 C[C@H](c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1)N(C)C Homo sapiens CHEMBL4384180 single protein format
CHEMBL3672369 OBDepict CH 3 N CH 3 H 3 C H OH N H 3 C H S O IC50 = 28.0 nM 392.52 Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL4261716 assay format
CHEMBL3716635 OBDepict O HN N H N N H H NH 2 IC50 = 33.0 nM 299.38 N[C@H]1CC[C@H](NC(=O)c2ccnc3[nH]c(C4CC4)nc23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718105 OBDepict O HN N H N N HN H IC50 = 34.0 nM 285.35 O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715121 OBDepict O NH N N N H H N H IC50 = 34.0 nM 299.38 O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718439 OBDepict NH 2 N H O N N N H S IC50 = 35.0 nM 341.44 NC1CCCC(NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715494 OBDepict O HN N H N N H N H IC50 = 36.0 nM 299.38 O=C(N[C@H]1CCCNC1)c1ccnc2nc(CC3CC3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718039 OBDepict O N H N N N H H N H S IC50 = 39.0 nM 341.44 O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4451419 OBDepict CH 3 N H 3 C H 3 C H HO N CH 3 H O IC50 = 44.89 nM 372.47 Cc1cc(O)c(-c2ccc([C@@H](C)N(C)C)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3718730 OBDepict NH 2 H H N H O N N N H IC50 = 55.0 nM 313.41 NC[C@H]1CC[C@H](NC(=O)c2ccnc3[nH]c(C4CC4)nc23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717059 OBDepict O NH N H N N H HN S IC50 = 59.0 nM 341.44 O=C(N[C@H]1CCCNC1)c1ccnc2nc(Cc3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4473141 OBDepict HO CH 3 N H O F H 2 N CH 3 H IC50 = 61.41 nM 362.4 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(F)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3718268 OBDepict NH 2 NH O N N N H S IC50 = 63.0 nM 369.49 NCC1CCCC(CNC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)C1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717532 OBDepict O HN N H N N H HN S N H H 2 N IC50 = 63.0 nM 411.54 N[C@@H]1CCN(c2ccc(-c3nc4nccc(C(=O)N[C@H]5CCCNC5)c4[nH]3)s2)C1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4444190 OBDepict CH 3 N CH 3 H 3 C H HO N CH 3 H O IC50 = 63.83 nM 386.5 Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4534841 OBDepict H 2 N H 3 C H HO N CH 3 H O F IC50 = 64.46 nM 376.43 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(F)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4534499 OBDepict H 3 C N CH 3 CH 3 H OH N Cl H O IC50 = 65.0 nM 406.91 C[C@@H](CN(C)C)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4ccccc4c23)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3715032 OBDepict O HN N N N H H S H NH 2 IC50 = 72.0 nM 355.47 N[C@H]1CC[C@@H](CNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715508 OBDepict O NH N N N H N H S IC50 = 74.0 nM 341.44 O=C(NCC1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717297 OBDepict O HN N H N N H N H S IC50 = 78.0 nM 327.41 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 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 = 83.9 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328548 single protein format
CHEMBL3717841 OBDepict O HN N H N N H HO H S IC50 = 86.0 nM 342.42 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718758 OBDepict O N H N N N H H N H S IC50 = 98.0 nM 355.47 O=C(NC[C@H]1CCCNC1)c1ccnc2nc(Cc3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715825 OBDepict O N H N N N H H N H S IC50 = 99.0 nM 341.44 O=C(NC[C@H]1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3719067 OBDepict HO N S N N H N HN O H HN IC50 = 110.0 nM 412.52 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCC(O)C4)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717063 OBDepict NH 2 H H N H O N N N H S IC50 = 140.0 nM 355.47 NC[C@H]1CC[C@H](NC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4552688 OBDepict CH 3 O H 3 C N H O NH 2 H 3 C H IC50 = 142.5 nM 358.44 COc1cc(C)c2[nH]c(=O)c3ccccc3c2c1-c1ccc([C@@H](C)N)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL4455728 OBDepict H 3 C N CH 3 OH N H 3 C H O IC50 = 143.9 nM 398.51 Cc1cc(O)c(-c2ccc(C3(CN(C)C)CC3)cc2)c2c1[nH]c(=O)c1ccccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3718368 OBDepict OH N H 3 C S N N H N N H O H HN IC50 = 150.0 nM 400.51 CN(CCO)c1ccc(-c2nc3c(C(=O)N[C@H]4CCCNC4)ccnc3[nH]2)s1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3716639 OBDepict O NH N N N H HN S IC50 = 160.0 nM 327.41 O=C(NC1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717470 OBDepict O N H N H N N H N H IC50 = 180.0 nM 339.44 O=C(N[C@H]1CCCNC1)c1ccnc2nc(C3CC4CCC3C4)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718662 OBDepict O NH N N HN OH H S IC50 = 180.0 nM 342.42 O=C(NC1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717479 OBDepict O N H N N OH H NH 2 S IC50 = 190.0 nM 408.53 NC12CC3CC(C1)CC(NC(=O)c1ccc(O)c4[nH]c(-c5cccs5)nc14)(C3)C2 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717226 OBDepict O HN N N HO H N H S IC50 = 200.0 nM 356.45 O=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3715740 OBDepict O HN N H N N H HO H IC50 = 200.0 nM 300.36 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718956 OBDepict O HN N H N N H N H S N HN IC50 = 220.0 nM 411.54 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3cc(N4CCNCC4)cs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4591205 OBDepict NH 2 CH 3 H OH N H 3 C H O CH 3 IC50 = 223.7 nM 372.47 Cc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)CN)cc3)c12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3716964 OBDepict O HN N H N N H HO H IC50 = 270.0 nM 328.42 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CCCC3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717200 OBDepict Br O N N H N N H O H N H IC50 = 290.0 nM 404.27 O=C(NC[C@@H]1CCCNC1)c1ccnc2nc(-c3ccc(Br)o3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3714837 OBDepict O HN N H N N H HO H IC50 = 300.0 nM 336.39 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3715412 OBDepict O HN N H N N H S H NH 2 IC50 = 300.0 nM 341.44 N[C@H]1CC[C@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL583144 OBDepict Cl S N Cl N O H Ki = 316.1 nM 271.13 O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12 Homo sapiens CHEMBL1060316 single protein format
CHEMBL4579248 OBDepict NH 2 CH 3 H OH N Cl H O HO IC50 = 321.3 nM 394.86 C[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4c(O)cccc4c23)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3717174 OBDepict H 2 N H H N H O N N N H S IC50 = 330.0 nM 369.49 NC[C@H]1CC[C@H](CNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4436998 OBDepict H 2 N H 3 C H HO N CH 3 H O OH IC50 = 335.7 nM 374.44 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(O)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3715259 OBDepict H 2 N H 3 C N H CH 3 H 3 C O N N N H S IC50 = 340.0 nM 397.55 CC1(C)CC(NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC(C)(CN)C1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718783 OBDepict O HN N H N N H NH S N O IC50 = 340.0 nM 412.52 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCOCC4)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718661 OBDepict O N H N N N H N H S IC50 = 410.0 nM 313.39 O=C(NCC1CNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3714883 OBDepict O NH N N N H OH H IC50 = 410.0 nM 300.36 O=C(NC1CCCNC1)c1ccc(O)c2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718423 OBDepict O N H N N N H H N H S IC50 = 430.0 nM 355.47 O=C(NC[C@@H]1CCCNC1)c1ccnc2nc(Cc3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718636 OBDepict O N H N N N H HN S IC50 = 450.0 nM 313.39 O=C(NC1CCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3717192 OBDepict O N H N H N N H HO H IC50 = 450.0 nM 354.45 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CC4CCC3C4)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718407 OBDepict O HN N H N N H NH S N IC50 = 460.0 nM 410.55 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCCCC4)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3716143 OBDepict O O HN CH 3 CH 3 H 3 C H H N H O N N N H IC50 = 460.0 nM 413.52 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccnc3nc(C4CC4)[nH]c23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718575 OBDepict H 2 N H H N H O N N N H IC50 = 490.0 nM 381.52 NC[C@H]1CC[C@H](CNC(=O)c2ccnc3nc(C4CC5CCC4C5)[nH]c23)CC1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3716414 OBDepict O N H N N OH H NH 2 IC50 = 500.0 nM 420.56 NC12CC3CC(C1)CC(NC(=O)c1ccc(O)c4[nH]c(C5CC6CCC5C6)nc14)(C3)C2 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718881 OBDepict O HN N H N N H HO H S IC50 = 500.0 nM 356.45 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717281 OBDepict O HN N H N HO H S H NH 2 IC50 = 520.0 nM 356.45 N[C@H]1CC[C@H](NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)CC1 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717466 OBDepict O HN N N H HO H HN S IC50 = 550.0 nM 370.48 O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3718588 OBDepict NH 2 N H O N N OH H IC50 = 570.0 nM 368.48 NC1CCCC(NC(=O)c2ccc(O)c3[nH]c(C4CC5CCC4C5)nc23)C1 Homo sapiens CHEMBL3721018 single protein format
CHEMBL4458873 OBDepict H 2 N H 3 C H HO N CH 3 H O CH 3 IC50 = 586.1 nM 372.47 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1c(C)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3717030 OBDepict O HN N N N H H S N H IC50 = 590.0 nM 355.47 O=C(NCC[C@@H]1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715542 OBDepict O HN N N HO H N H IC50 = 590.0 nM 342.44 O=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(C3CCCC3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3716223 OBDepict O HN N N N H HO H IC50 = 620.0 nM 314.39 O=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3716979 OBDepict O HN N N HN HO H S IC50 = 620.0 nM 356.45 O=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3715533 OBDepict HO N S N N H N HN O H HN IC50 = 630.0 nM 426.55 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCCC(O)C4)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3715171 OBDepict O HN N N OH H HN S IC50 = 630.0 nM 342.42 O=C(NCC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL4535216 OBDepict OH Cl N H O HO NH 2 CH 3 H IC50 = 642.9 nM 380.83 C[C@@H](N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4c(O)cccc4c23)cc1 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3719247 OBDepict O HN N N H HO H HN S IC50 = 690.0 nM 370.48 O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3716309 OBDepict O NH N H N N H N H O S IC50 = 700.0 nM 355.42 O=C(c1nc2nccc(C(=O)N[C@H]3CCCNC3)c2[nH]1)c1cccs1 Homo sapiens CHEMBL3720934 single protein format
CHEMBL4535960 OBDepict HO CH 3 N H O CH 3 H 2 N CH 3 H IC50 = 721.4 nM 358.44 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(C)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3716966 OBDepict O N H N N HN OH H S IC50 = 730.0 nM 328.4 O=C(NC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3716727 OBDepict O HN N N N H HN S IC50 = 740.0 nM 341.44 O=C(NCC1CCCCN1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3718848 OBDepict Br S N N H HO HN O H N H IC50 = 770.0 nM 421.32 O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccc(Br)s3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3717110 OBDepict O HN N N NH HO H IC50 = 850.0 nM 354.45 O=C(NC1CCCNC1)c1ccc(O)c2[nH]c(C3CC4CCC3C4)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL4467180 OBDepict CH 3 O N H HO CH 3 H 2 N CH 3 H IC50 = 894.3 nM 358.44 Cc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)N)cc3)c12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3714949 OBDepict O HN N N HO H N H IC50 = 910.0 nM 350.42 O=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL3719153 OBDepict O N H N N OH H N H S IC50 = 970.0 nM 328.4 O=C(NCC1CNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 Homo sapiens CHEMBL3721018 single protein format
CHEMBL4474776 OBDepict HO CH 3 N H O OH H 2 N CH 3 H IC50 = 977.5 nM 360.41 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1c(O)cccc12 Homo sapiens CHEMBL4384180 single protein format
CHEMBL3717765 OBDepict O HN N N N H H S N H IC50 = 1000.0 nM 355.47 O=C(NCC[C@H]1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format
CHEMBL3716044 OBDepict Br S N N H N HN O H N H IC50 = 1000.0 nM 406.31 O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(Br)s3)[nH]c12 Homo sapiens CHEMBL3720934 single protein format