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P52732 | KIF11_HUMAN | Kinesin-like protein KIF11 (KIF11)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Kinesin ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4239814 OBDepict CH 3 N CH 3 N N O CH 3 F H 3 C IC50 = 0.2 nM 381.5 CC(=O)C1=NN(c2cc(C)ccc2F)C[C@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL4234989 single protein format
CHEMBL247044 OBDepict CH 3 N CH 3 N N O CH 3 F H 3 C IC50 = 0.2 nM 381.5 CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL398478 OBDepict F N O N H O CH 3 N O IC50 = 0.4 nM 437.52 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCOCC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL250127 OBDepict H 2 N N H N O CH 3 O F IC50 = 0.5 nM 367.42 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL206115 OBDepict OH H N O H 2 N H F F IC50 = 0.5 nM 370.4 N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1 Homo sapiens CHEMBL868957 single protein format
CHEMBL3645244 OBDepict F F N N N N H CH 3 CH 3 H 3 C O HO CH 3 H H NH H F IC50 = 0.6 nM 529.61 C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)C(C)(C)C Homo sapiens CHEMBL3705055 single protein format
CHEMBL3645253 OBDepict H 3 C O CH 3 CH 3 N H N N O N H O H NH H F F F IC50 = 0.69 nM 571.64 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL400042 OBDepict H 2 N F H N N O CH 3 F F IC50 = 0.82 nM 375.39 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(C[C@H](F)CN)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL3645242 OBDepict F F N N N N H H 3 C H 3 C CH 3 N O H HN H F H CH 3 O H CH 3 IC50 = 0.83 nM 598.71 C[C@H]1CN(C(=O)N(C[C@@H]2CNC[C@@H]2F)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2ccccc2)C(C)(C)C)C[C@@H](C)O1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL3645246 OBDepict F N N N N H CH 3 CH 3 H 3 C F O F HO CH 3 H H NH H F IC50 = 0.83 nM 547.6 C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)C(C)(C)C Homo sapiens CHEMBL3705055 single protein format
CHEMBL3680846 OBDepict F F S N N H CH 3 CH 3 H 3 C O HO CH 3 H H NH H F IC50 = 0.84 nM 545.67 C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C Homo sapiens CHEMBL3705195 assay format
CHEMBL3645252 OBDepict H 3 C O CH 3 CH 3 N H N N O N HO CH 3 H H NH H F F F F IC50 = 0.87 nM 563.6 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H](C)O Homo sapiens CHEMBL3705055 single protein format
CHEMBL251142 OBDepict F N O N H O H 3 C N N O H 3 C IC50 = 0.9 nM 478.57 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCC(=O)N(C)CC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL3645250 OBDepict H 3 C O CH 3 CH 3 N H N N O N H O H NH H F F F F IC50 = 0.9 nM 589.63 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL241754 OBDepict H 2 N N N O H 3 C F F IC50 = 0.9 nM 357.4 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL3645241 OBDepict F F N N N N H CH 3 CH 3 H 3 C O O H NH H F IC50 = 0.96 nM 555.65 CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL1163881 OBDepict CH 3 N O N H N H H 3 C IC50 < 1.0 nM 371.48 CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1c[nH]c2ccccc12 Homo sapiens CHEMBL1167212 assay format
CHEMBL1829430 OBDepict NH 2 N O N N H 3 C S O N H 3 C CH 3 IC50 = 1.0 nM 489.65 CCC(c1nc2snc(C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1 Homo sapiens CHEMBL1833735 single protein format
CHEMBL240704 OBDepict F F N N O CH 3 N H F IC50 = 1.0 nM 429.49 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CC[C@H](F)C1)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL398396 OBDepict F F N N O CH 3 N IC50 = 1.0 nM 437.53 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CC2CCC1C2)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL240497 OBDepict F F N N O H 3 C N H H O IC50 = 1.0 nM 439.51 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1C[C@H]2C[C@@H]1CO2)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL250126 OBDepict Cl N O N H O CH 3 N N O H 3 C IC50 = 1.0 nM 495.02 CC(=O)C1=NN2c3cc(Cl)ccc3OC[C@H]2[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL399378 OBDepict CH 3 N O N H O CH 3 N O IC50 = 1.0 nM 433.55 CC(=O)C1=NN2c3cc(C)ccc3OC[C@H]2[C@@]1(CCCN1CCOCC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL429553 OBDepict H 3 C N H 3 C N H N O CH 3 O Cl IC50 = 1.0 nM 411.93 CC(=O)C1=NN2c3cc(Cl)ccc3OC[C@H]2[C@@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL1277017 OBDepict CH 3 O N H O CH 3 N H O N N H IC50 = 1.1 nM 350.38 COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3C2c2ccco2)cc1 Homo sapiens CHEMBL1286523 assay format
CHEMBL246603 OBDepict F N F N O CH 3 N O IC50 = 1.2 nM 439.51 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CC2CC1CO2)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL381526 OBDepict OH H N O NH 2 H F H 3 C H 3 C F IC50 = 1.2 nM 372.42 CC(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 Homo sapiens CHEMBL868957 single protein format
CHEMBL3645247 OBDepict F NH 2 H N H O O H 3 C H 3 C CH 3 N N H O N F F F IC50 = 1.23 nM 577.62 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL427688 OBDepict F F N N O CH 3 N IC50 = 1.3 nM 411.5 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCCC1)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL262736 OBDepict OH H N O OH H F H 3 C H 3 C H 3 C F IC50 = 1.3 nM 387.43 CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 Homo sapiens CHEMBL868957 single protein format
CHEMBL3645251 OBDepict F H 2 N H N H O O CH 3 CH 3 H 3 C N N H O N F F IC50 = 1.4 nM 559.63 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL392148 OBDepict CH 3 N CH 3 N N O CH 3 F F IC50 = 1.4 nM 385.46 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL3645245 OBDepict F N N N N H CH 3 CH 3 H 3 C F O F O H NH H F IC50 = 1.46 nM 573.64 CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1 Homo sapiens CHEMBL3705055 single protein format
CHEMBL3645248 OBDepict F H 2 N H N H O O CH 3 H 3 C CH 3 N N HO H 3 C H N F F F IC50 = 1.49 nM 551.59 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H](N)CF)C(=O)[C@H](C)O Homo sapiens CHEMBL3705055 single protein format
CHEMBL438876 OBDepict O NH N N H N O H 3 C O F IC50 = 1.5 nM 464.54 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCNC(=O)CC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL250328 OBDepict H 3 C N H 3 C N H N O CH 3 O F IC50 = 1.6 nM 395.48 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL250125 OBDepict F N O N H O CH 3 N N O H 3 C IC50 = 1.6 nM 478.57 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL1222153 OBDepict O N H F F F Ki = 1.8 nM 291.27 O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1 Homo sapiens CHEMBL1226588 single protein format
CHEMBL250532 OBDepict H 3 C N H 3 C N H N O CH 3 O CH 3 IC50 = 1.8 nM 391.52 CC(=O)C1=NN2c3cc(C)ccc3OC[C@H]2[C@@]1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL239415 OBDepict F F N N O CH 3 N O IC50 = 1.8 nM 427.5 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCOCC1)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL250533 OBDepict Cl N O N H O CH 3 N O IC50 = 1.8 nM 453.97 CC(=O)C1=NN2c3cc(Cl)ccc3OC[C@H]2C1(CCCN1CCOCC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL240498 OBDepict F N N N O H 3 C F F IC50 = 1.8 nM 415.46 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL377566 OBDepict NH 2 N N N O H 3 C H 3 C F F IC50 = 1.9 nM 386.45 CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN)c1ccccc1 Homo sapiens CHEMBL871277 single protein format
CHEMBL1829433 OBDepict H 2 N N O N N CH 3 H 3 C S O N CH 3 H 3 C IC50 = 2.0 nM 503.67 Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1 Homo sapiens CHEMBL1833735 single protein format
CHEMBL1084143 OBDepict CH 3 N H 3 C S N H O O H O H H H N H H 3 C CH 3 IC50 = 2.0 nM 485.69 CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CNS(=O)(=O)CCCN(C)C)CC[C@H]1[C@H](c1ccccc1)N2 Homo sapiens CHEMBL1101849 single protein format
CHEMBL240705 OBDepict CH 3 O N CH 3 N N O H 3 C F F IC50 = 2.0 nM 429.51 COCCN(C)CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(C)=O Homo sapiens CHEMBL898408 single protein format
CHEMBL1096003 OBDepict CH 3 N H 3 C S N H O O H O H H H HN Cl F IC50 = 2.0 nM 482.02 CN(C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL443490 OBDepict CH 3 N F N O CH 3 N N O CH 3 IC50 = 2.0 nM 464.59 CC(=O)C1=NN(c2cc(C)ccc2F)CC1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL204459 OBDepict F F N H O H 2 N H IC50 = 2.0 nM 354.4 N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1 Homo sapiens CHEMBL868942 single protein format
CHEMBL246604 OBDepict CH 3 N CH 3 N N O CH 3 F F IC50 = 2.1 nM 385.46 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN(C)C)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL395332 OBDepict H 2 N N N O CH 3 H 3 C F F IC50 = 2.2 nM 385.46 CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCCN)c1ccccc1 Homo sapiens CHEMBL893740 single protein format
CHEMBL228814 OBDepict H 2 N N H O N N H 3 C H 3 C O CH 3 Cl Ki = 2.3 nM 517.07 Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1 Homo sapiens CHEMBL4322144 single protein format
CHEMBL3639441 OBDepict F H 2 N H N H O O CH 3 H 3 C CH 3 N N HO H 3 C H N F F IC50 = 2.34 nM 533.6 COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(CC[C@H](N)CF)C(=O)[C@H](C)O Homo sapiens CHEMBL3705055 single protein format
CHEMBL1276930 OBDepict CH 3 O N H O CH 3 N H S N N H IC50 = 2.5 nM 366.45 COc1ccc(NC(=O)C2=C(C)Nc3n[nH]cc3C2c2cccs2)cc1 Homo sapiens CHEMBL1286523 assay format
CHEMBL3680850 OBDepict F H 2 N H N H O CH 3 H 3 C CH 3 N HO H 3 C H O F F IC50 = 2.54 nM 517.59 C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C Homo sapiens CHEMBL3705195 assay format
CHEMBL3680848 OBDepict F H 2 N H N H O CH 3 H 3 C CH 3 N HO H 3 C H S F F IC50 = 2.6 nM 533.66 C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C Homo sapiens CHEMBL3705195 assay format
CHEMBL205437 OBDepict F F N H N O H 3 C NH IC50 = 2.6 nM 397.47 CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CCNCC1 Homo sapiens CHEMBL868942 single protein format
CHEMBL204408 OBDepict F F N H O NH 2 H H 3 C H 3 C H 3 C IC50 = 2.7 nM 370.44 CC(C)(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 Homo sapiens CHEMBL868942 single protein format
CHEMBL239414 OBDepict F F N N O CH 3 N N O CH 3 IC50 = 2.8 nM 468.55 CC(=O)N1CCN(CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1 Homo sapiens CHEMBL898408 single protein format
CHEMBL377596 OBDepict HO H N O OH H F F IC50 = 2.9 nM 371.38 O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 Homo sapiens CHEMBL868957 single protein format
CHEMBL1082248 OBDepict H 3 C NH H O H H H N H Br F IC50 = 3.0 nM 405.31 CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL1829424 OBDepict NH 2 N O N N H 3 C S O H 3 C IC50 = 3.0 nM 474.63 CCC(c1nc2sccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1 Homo sapiens CHEMBL1833735 single protein format
CHEMBL249882 OBDepict F N F N O CH 3 N N O CH 3 IC50 = 3.0 nM 468.55 CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL243669 OBDepict F NH S O O NH 2 F F F Ki = 3.5 nM 334.29 NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F Homo sapiens CHEMBL895158 single protein format
CHEMBL379690 OBDepict CH 3 CH 3 NH 2 H N O H F F IC50 = 3.6 nM 356.42 CC(C)[C@H](N)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 Homo sapiens CHEMBL868942 single protein format
CHEMBL248400 OBDepict F N F N O CH 3 N N O CH 3 IC50 = 3.8 nM 468.55 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL246422 OBDepict F N F N O CH 3 N IC50 = 3.8 nM 411.5 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CCCC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL247414 OBDepict Cl N F N O CH 3 N N O CH 3 IC50 = 3.9 nM 485.0 CC(=O)C1=NN(c2cc(Cl)ccc2F)CC1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL400041 OBDepict F F N N O CH 3 N F F IC50 = 4.0 nM 447.48 CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCC(F)(F)C1)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL1086410 OBDepict CH 3 HN H O H H H N H CH 3 CH 3 CH 3 IC50 = 4.0 nM 364.53 CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(C)(C)C)ccc1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL206798 OBDepict HO N H 3 C N O H F HO F IC50 = 4.0 nM 374.39 CN(CCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 Homo sapiens CHEMBL868957 single protein format
CHEMBL1084677 OBDepict CH 3 N H S NH O O H O H H H HN F F F IC50 = 4.0 nM 483.56 CNCCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL246000 OBDepict CH 3 N O N CH 3 N N O H 3 C F F IC50 = 4.0 nM 466.53 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN(C)Cc1cc(C)no1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL1083517 OBDepict CH 3 HN H O H H H N H F F F HO IC50 = 4.0 nM 392.42 CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccc(O)cc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL246001 OBDepict F N F N O CH 3 N O IC50 = 4.2 nM 427.5 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CCOCC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL401476 OBDepict F N O N H O CH 3 N HN IC50 = 4.3 nM 436.53 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCNCC1)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL392599 OBDepict Br N F N O CH 3 N N O CH 3 IC50 = 4.7 nM 529.45 CC(=O)C1=NN(c2cc(Br)ccc2F)CC1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL243669 OBDepict F NH S O O NH 2 F F F IC50 = 5.0 nM 334.29 NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F Homo sapiens CHEMBL895158 single protein format
CHEMBL1829432 OBDepict NH 2 N O N N H 3 C O CH 3 N S CH 3 IC50 = 5.0 nM 489.65 CCC(c1nc2c(C)nsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1 Homo sapiens CHEMBL1833735 single protein format
CHEMBL1085692 OBDepict H 3 C N CH 3 N H O H O H H H N H Br F IC50 = 5.0 nM 504.44 CN(C)CCCC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL228814 OBDepict H 2 N N H O N N H 3 C H 3 C O CH 3 Cl IC50 = 5.0 nM 517.07 Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1 Homo sapiens CHEMBL3089268 single protein format
CHEMBL1077227 OBDepict H 3 C N H H O H H H N H S CH 3 CH 3 CH 3 IC50 = 5.0 nM 370.56 CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(C)(C)C)ccc1N[C@H]2c1cccs1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL248244 OBDepict F N N N O H 3 C F F IC50 = 5.2 nM 415.46 CC(=O)C1=NN(c2cc(F)ccc2F)CC1(CCCN1CC(F)C1)c1ccccc1 Homo sapiens CHEMBL940954 single protein format
CHEMBL395034 OBDepict F F NH 2 H N N O CH 3 H 3 C F F IC50 = 5.2 nM 435.47 CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1 Homo sapiens CHEMBL893740 single protein format
CHEMBL203045 OBDepict H 2 N CH 3 H 3 C N O H F F IC50 = 5.2 nM 356.42 CC(C)(CN)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 Homo sapiens CHEMBL868942 single protein format
CHEMBL240923 OBDepict F F NH 2 H N N O CH 3 H 3 C F F IC50 = 5.2 nM 435.47 CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@@H](N)C(F)F)c1ccccc1 Homo sapiens CHEMBL898408 single protein format
CHEMBL250743 OBDepict HO N H N O CH 3 O F IC50 = 5.2 nM 368.41 CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCO)c1ccccc1 Homo sapiens CHEMBL941013 single protein format
CHEMBL206249 OBDepict HO N N O H 3 C F F NH IC50 = 5.5 nM 413.47 CN(C(=O)N1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1)C1CCNCC1 Homo sapiens CHEMBL868957 single protein format
CHEMBL1093088 OBDepict H O N N H H N H HN F F F IC50 = 6.0 nM 414.43 FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2 Homo sapiens CHEMBL1101849 single protein format
CHEMBL1082249 OBDepict H 3 C N H O HN H O H H H N H Br F IC50 = 6.0 nM 476.39 CC(=O)NCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL2347655 OBDepict H 2 N S N N N O O H 3 C F CH 3 F IC50 = 6.0 nM 420.49 CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1 Homo sapiens CHEMBL2350446 single protein format
CHEMBL390629 OBDepict NH 2 S HN O O F F F Ki = 7.0 nM 316.3 NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL895159 assay format
CHEMBL2105661 OBDepict CH 3 N H S N H O O S N N N H O H 3 C CH 3 H 3 C O H 3 C H 3 C CH 3 IC50 = 7.0 nM 511.71 CCNCCS(=O)(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C Homo sapiens CHEMBL4234989 single protein format
CHEMBL1096002 OBDepict OH NH H O H H H N H Cl F IC50 = 7.0 nM 390.89 OCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1 Homo sapiens CHEMBL1101849 single protein format
CHEMBL1084678 OBDepict H 2 N S N O O H 3 C H O H H H HN F F F IC50 = 7.0 nM 497.58 CN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)S(=O)(=O)CCCN Homo sapiens CHEMBL1101849 single protein format
CHEMBL1163678 OBDepict NH 2 N N H OH Cl ClH IC50 = 7.0 nM 378.3 Cl.NCCN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 Homo sapiens CHEMBL1167212 assay format
CHEMBL381533 OBDepict OH H N N O H 3 C CH 3 F F IC50 = 7.0 nM 344.36 CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 Homo sapiens CHEMBL868957 single protein format
CHEMBL3680849 OBDepict F F O N N H CH 3 CH 3 H 3 C O HO CH 3 H H NH H F IC50 = 7.18 nM 529.6 C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C Homo sapiens CHEMBL3705195 assay format
CHEMBL202788 OBDepict HO O NH O H CH 3 H 3 C CH 3 N O H F F IC50 = 7.4 nM 458.51 CC(C)(C)[C@H](NC(=O)OCCO)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 Homo sapiens CHEMBL868942 single protein format
CHEMBL208865 OBDepict NH 2 N N N O H 3 C H 3 C F F IC50 = 8.0 nM 386.45 CN(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCN)c1ccccc1 Homo sapiens CHEMBL871277 single protein format