HOME LIGAND hPROTEOME OTHERS DOCUMENT

P06493 | CDK1_HUMAN | Cyclin-dependent kinase 1 (CDK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session



[ 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
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -26500.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804356 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -24700.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804356 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -15000.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804356 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -500.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804356 cell-based format
CHEMBL194540 OBDepict H N N N H N N N H F F F S O O NH 2 IC50 = 0.1 nM 449.42 NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]cnc4c3)n2)cc1 Homo sapiens CHEMBL827874 single protein format
CHEMBL248713 OBDepict CH 3 NH N N N N H N N H F IC50 = 0.7 nM 387.42 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(F)ccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL561334 OBDepict O NH S H CH 3 HN N IC50 = 0.8 nM 283.36 C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 Homo sapiens CHEMBL1061559 single protein format
CHEMBL429478 OBDepict CH 3 NH N N N N H N N H O CH 3 IC50 = 0.8 nM 399.46 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(OC)ccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL194721 OBDepict Cl NH N N N H F F F N N H IC50 = 0.9 nM 404.78 FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccccc1Cl Homo sapiens CHEMBL827874 single protein format
CHEMBL462385 OBDepict CH 3 N H 3 C HN O F N H N N F N N H 3 C CH 3 CH 3 IC50 < 1.0 nM 443.5 Cc1ncc(-c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018124 single protein format
CHEMBL215803 OBDepict HO N N N O N HO H N H CH 3 IC50 = 1.0 nM 403.44 C[C@@H]1C[C@H]2CN1CCn1nc3c(cccc3c1O)-c1nc3c(cccc3nc1O)O2 Homo sapiens CHEMBL910892 single protein format
CHEMBL557318 OBDepict O NH S H CH 3 HN O IC50 = 1.0 nM 272.33 C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 Homo sapiens CHEMBL1061559 single protein format
CHEMBL248712 OBDepict CH 3 NH N N N N H N N H F F IC50 = 1.1 nM 405.41 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL249303 OBDepict H 3 C N H 3 C N N H N N H N N IC50 = 1.8 nM 447.55 CCN(CC)Cc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12 Homo sapiens CHEMBL888275 single protein format
CHEMBL384304 OBDepict CH 3 O O F F N H 2 N N N H N S O O CH 3 Ki = 2.0 nM 441.46 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N Homo sapiens CHEMBL908826 single protein format
CHEMBL3648115 OBDepict H 3 C O S HN O NH CH 3 N N N H Br H 3 C H OH CH 3 CH 3 IC50 = 2.0 nM 458.38 COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648111 OBDepict H 3 C O S HN O NH CH 3 N N N H Br H 3 C H OH CH 3 H IC50 = 2.0 nM 444.36 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL455657 OBDepict H 3 C N H H N O N H N N F N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 437.52 CN[C@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 Homo sapiens CHEMBL1018124 single protein format
CHEMBL192216 OBDepict H 3 C CH 3 O N N N H F F F N N H IC50 = 2.0 nM 351.33 CC(C)COc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F Homo sapiens CHEMBL827874 single protein format
CHEMBL400749 OBDepict CH 3 NH N N N N H N N H O CH 3 IC50 = 2.5 nM 399.46 CNCc1cncc(-c2cnc3[nH]nc(-c4nc5c(COC)cccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL410883 OBDepict O NH N N H O NH 2 S O O NH 2 IC50 = 2.8 nM 359.37 NC(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL666140 single protein format
CHEMBL4292930 OBDepict OH H N N N H N N H 3 C + N _ O IC50 = 3.0 nM 382.47 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12 Homo sapiens CHEMBL4271329 cell-based format
CHEMBL1944698 OBDepict H 3 C N N H O N N IC50 = 3.0 nM 372.47 CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 Homo sapiens CHEMBL3856510 single protein format
CHEMBL193922 OBDepict Cl N H N N N H F F F N N H IC50 = 3.0 nM 404.78 FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1cccc(Cl)c1 Homo sapiens CHEMBL827874 single protein format
CHEMBL400569 OBDepict CH 3 HN N N N N H N N H N N H 3 C IC50 = 3.0 nM 467.58 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL3644026 OBDepict HO S O O N H N N O F F F CH 3 H OH H 3 C H IC50 = 3.0 nM 435.42 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(=O)CCO)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL3705517 single protein format
CHEMBL3648112 OBDepict H 3 C O S HN O NH CH 3 N N N H Br H 3 C H OH CH 3 H IC50 = 3.0 nM 444.36 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648109 OBDepict HO S O HN N H N N N H Br CH 3 H OH H 3 C H IC50 = 3.0 nM 444.36 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br Homo sapiens CHEMBL3707822 single protein format
CHEMBL2029900 OBDepict OH N N N N N H N H 3 C N O N H 3 C IC50 = 3.0 nM 450.55 CN1CCN(C(=O)c2cc(Nc3ncc4cc(/C=N/O)n(C5CCCC5)c4n3)cn2C)CC1 Homo sapiens CHEMBL2032823 single protein format
CHEMBL370522 OBDepict CH 3 O N N N H F F F N N H IC50 = 4.0 nM 385.35 Cc1ccccc1Oc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F Homo sapiens CHEMBL827874 single protein format
CHEMBL3644033 OBDepict H OH CH 3 O CH 3 H N N N H F F F S O O CH 3 IC50 = 4.0 nM 405.4 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL3705517 single protein format
CHEMBL195423 OBDepict F NH N Br N N H N N H IC50 = 4.0 nM 399.23 Fc1ccc(Nc2nc(Nc3ccc4[nH]cnc4c3)ncc2Br)cc1 Homo sapiens CHEMBL827874 single protein format
CHEMBL3648096 OBDepict Br N N N H N H CH 3 H HO CH 3 H H 3 C S O HN CH 3 IC50 = 4.0 nM 428.36 Cc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL193367 OBDepict Cl N H N N N H F F F N N H IC50 = 4.0 nM 404.78 FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc(Cl)cc1 Homo sapiens CHEMBL827874 single protein format
CHEMBL4079206 OBDepict H 3 C N H OH H HO O OH O Cl Cl IC50 = 4.9 nM 462.33 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(Cl)cccc4Cl)oc23)[C@H](O)C1 Homo sapiens CHEMBL4370704 single protein format
CHEMBL213713 OBDepict CH 3 O F O F F N H 2 N N N H N S O O CH 3 Ki = 5.0 nM 459.45 COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N Homo sapiens CHEMBL908826 single protein format
CHEMBL3648095 OBDepict CH 3 S O NH HN N N N H Br H 3 C H OH CH 3 H IC50 = 5.0 nM 428.36 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 Homo sapiens CHEMBL3707822 single protein format
CHEMBL318999 OBDepict O N O N H 2 N N N H S O O NH 2 IC50 = 5.0 nM 406.47 Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC2CCCCC2)c1N=O Homo sapiens CHEMBL666141 single protein format
CHEMBL3648116 OBDepict Br N N N H N H CH 3 H HO CH 3 CH 3 S O HN CH 3 IC50 = 5.0 nM 428.36 C[C@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648110 OBDepict HO S O HN N H N N N H Br CH 3 H OH H 3 C H IC50 = 5.0 nM 444.36 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648117 OBDepict Br N N N H N H CH 3 H HO CH 3 H S O HN CH 3 IC50 = 5.0 nM 414.33 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648076 OBDepict Br N N N H N H H 3 C H OH CH 3 H 3 C S O NH IC50 = 5.0 nM 468.42 C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)CC3CC3)cc2)ncc1Br)C(C)(C)O Homo sapiens CHEMBL3707822 single protein format
CHEMBL3648082 OBDepict H 3 C O S HN O NH CH 3 N N O Br H 3 C H OH CH 3 H IC50 = 5.0 nM 445.34 COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL102926 OBDepict CH 3 N CH 3 OH O HN N N N H 3 C N IC50 = 5.0 nM 418.5 Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1 Homo sapiens CHEMBL1250280 single protein format
CHEMBL562754 OBDepict H CH 3 NH HN O S O IC50 = 5.0 nM 274.35 C[C@@H]1CNc2c(sc3ccc4c(c23)CCO4)C(=O)N1 Homo sapiens CHEMBL1061559 single protein format
CHEMBL440411 OBDepict HO N N H O N H S O O HO IC50 = 5.0 nM 357.35 O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=C1/Nc2ccccc2/C1=NO Homo sapiens CHEMBL937646 single protein format
CHEMBL337300 OBDepict O N N H OH N H I IC50 = 5.0 nM 403.18 O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12 Homo sapiens CHEMBL937646 single protein format
CHEMBL462192 OBDepict H 3 C N N O NH N N F N N H 3 C CH 3 CH 3 IC50 = 5.0 nM 451.55 Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018124 single protein format
CHEMBL248891 OBDepict H 3 C O N N H N N H N N IC50 = 5.6 nM 406.45 COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12 Homo sapiens CHEMBL888275 single protein format
CHEMBL73243 OBDepict H 3 C O N H S O O HN N N N N IC50 = 6.0 nM 438.51 COCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1 Homo sapiens CHEMBL660795 single protein format
CHEMBL2029901 OBDepict N N N N N H N H 3 C N O N H 3 C IC50 = 6.0 nM 432.53 CN1CCN(C(=O)c2cc(Nc3ncc4cc(C#N)n(C5CCCC5)c4n3)cn2C)CC1 Homo sapiens CHEMBL2032823 single protein format
CHEMBL191003 OBDepict F F N O N H 2 N N N H S O O NH 2 IC50 = 6.0 nM 394.36 Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F Homo sapiens CHEMBL869289 single protein format
CHEMBL291324 OBDepict H N NH 2 N O N H 2 N O IC50 = 6.0 nM 155.12 Nc1nc(N)c(N=O)c(=O)[nH]1 Homo sapiens CHEMBL1250280 single protein format
CHEMBL4442620 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O NH IC50 = 7.0 nM 430.45 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL4701383 single protein format
CHEMBL3648107 OBDepict HO S O HN N H N N N H Br CH 3 H OH CH 3 CH 3 IC50 = 7.0 nM 458.38 C[C@@H](Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br)C(C)(C)O Homo sapiens CHEMBL3707822 single protein format
CHEMBL4282338 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O NH IC50 = 7.0 nM 430.45 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@](=N)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL4271328 single protein format
CHEMBL3648113 OBDepict CH 3 O S N H N O CH 3 H 3 C N N N H Br CH 3 H HO CH 3 H IC50 = 7.0 nM 458.38 CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1OC Homo sapiens CHEMBL3707822 single protein format
CHEMBL411887 OBDepict H 3 C N H O NH O S N O O NH 2 IC50 = 7.1 nM 396.43 C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)Nc2ccc(-c3cnco3)cc21 Homo sapiens CHEMBL666140 single protein format
CHEMBL400568 OBDepict CH 3 NH N N N N H N N H O CH 3 IC50 = 7.4 nM 427.51 CCCNCc1cncc(-c2cnc3[nH]nc(-c4nc5c(COC)cccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL2158853 OBDepict CH 3 N N H 3 C N N N H S O O NH 2 IC50 = 7.4 nM 398.49 CCN(CC)c1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)ccn1 Homo sapiens CHEMBL2161546 single protein format
CHEMBL3644032 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O O IC50 = 8.0 nM 431.44 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL3705517 single protein format
CHEMBL372464 OBDepict CH 3 O NH N N N H F F F N N H IC50 = 8.0 nM 400.36 COc1ccc(Nc2nc(Nc3ccc4[nH]cnc4c3)ncc2C(F)(F)F)cc1 Homo sapiens CHEMBL827874 single protein format
CHEMBL3648123 OBDepict CH 3 S O NH HN N N N H Br H 3 C H OH CH 3 CH 3 IC50 = 8.0 nM 442.38 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 Homo sapiens CHEMBL3707822 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 = 8.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL660793 single protein format
CHEMBL3639469 OBDepict Br N N N H N H CH 3 H HO CH 3 CH 3 H 3 C S O HN CH 3 IC50 = 8.0 nM 442.38 Cc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL249500 OBDepict H N N N N N H N N O IC50 = 8.5 nM 447.5 c1ccc2c(-c3cnc4[nH]nc(-c5nc6cc(N7CCOCC7)ccc6[nH]5)c4c3)cncc2c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL48362 OBDepict CH 3 N OH O HO O S O O NH 2 IC50 = 9.0 nM 430.48 CN1CCC(c2c(O)cc(O)c3c2O/C(=Cc2ccc(S(N)(=O)=O)cc2)C3=O)CC1 Homo sapiens CHEMBL661623 single protein format
CHEMBL3644034 OBDepict CH 3 OH CH 3 O H 3 C H N N N H F F F S O O CH 3 IC50 = 9.0 nM 419.43 C[C@@H](Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F)C(C)(C)O Homo sapiens CHEMBL3705517 single protein format
CHEMBL460087 OBDepict H 3 C N H H N O N H N N N N CH 3 H 3 C H 3 C IC50 = 9.0 nM 419.53 CN[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)C1 Homo sapiens CHEMBL1018124 single protein format
CHEMBL3648125 OBDepict Br N N N H N H CH 3 H HO CH 3 CH 3 H 3 C S O HN CH 3 IC50 = 9.0 nM 442.38 Cc1cc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3707822 single protein format
CHEMBL372465 OBDepict Br N N N H N H O O N N H IC50 = 9.0 nM 425.25 Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2c(c1)OCO2 Homo sapiens CHEMBL827874 single protein format
CHEMBL400906 OBDepict CH 3 NH N N N N H N N H O F F F IC50 = 9.0 nM 439.4 CNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(OC(F)(F)F)ccc5[nH]4)c3c2)c1 Homo sapiens CHEMBL888275 single protein format
CHEMBL370728 OBDepict Cl N H N N N H Br N N H IC50 = 9.0 nM 415.68 Clc1cccc(Nc2ncc(Br)c(Nc3ccc4[nH]cnc4c3)n2)c1 Homo sapiens CHEMBL827874 single protein format
CHEMBL271136 OBDepict H 3 C O NH O CH 3 O NH N N H O S O O NH 2 IC50 = 9.3 nM 509.54 COc1cccc(OC)c1CNC(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL666140 single protein format
CHEMBL319467 OBDepict H N N N N H N O S O O NH 2 IC50 = 9.5 nM 402.48 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Homo sapiens CHEMBL666141 single protein format
CHEMBL410261 OBDepict H 3 C N CH 3 O OH N CH 3 O N H O Cl IC50 = 10.0 nM 477.95 CN(C)CCCOc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O Homo sapiens CHEMBL949046 cell-based format
CHEMBL83320 OBDepict OH NH CH 3 CH 3 N N N H N N CH 3 H 3 C OH IC50 = 10.0 nM 384.48 CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL660796 single protein format
CHEMBL2012409 OBDepict HO H N O N CH 3 NH N N N N H H H IC50 = 10.0 nM 421.51 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO Homo sapiens CHEMBL2013813 single protein format
CHEMBL2012408 OBDepict H 2 N O H N O N CH 3 N H N N N N H H H IC50 = 10.0 nM 434.5 Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O Homo sapiens CHEMBL2013813 single protein format
CHEMBL193519 OBDepict H N N N H N N N H F F F N N H IC50 = 10.0 nM 410.36 FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2[nH]cnc2c1 Homo sapiens CHEMBL827874 single protein format
CHEMBL195641 OBDepict N N H NH N H N N N N H F F F N N H IC50 = 10.0 nM 450.39 N#CNc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]cnc4c3)n2)cc1NC#N Homo sapiens CHEMBL827874 single protein format
CHEMBL3648072 OBDepict Br N N N H N H CH 3 H HO CH 3 CH 3 S O HN CH 3 IC50 = 10.0 nM 428.36 C[C@@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O Homo sapiens CHEMBL3707822 single protein format
CHEMBL269827 OBDepict O HN N N H O N S O O NH 2 IC50 = 10.0 nM 383.39 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1 Homo sapiens CHEMBL666140 single protein format
CHEMBL460103 OBDepict H 3 C N H 3 C H N O N H N N F N N CH 3 H 3 C H 3 C IC50 = 11.0 nM 451.55 Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018124 single protein format
CHEMBL563308 OBDepict CH 3 CH 3 O S NH O HN H H 3 C IC50 = 11.0 nM 304.42 CC(C)COc1ccc2sc3c(c2c1)NC[C@@H](C)NC3=O Homo sapiens CHEMBL1063345 single protein format
CHEMBL3648122 OBDepict CH 3 S O NH HN N N N H Br H 3 C H OH CH 3 H IC50 = 11.0 nM 428.36 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 Homo sapiens CHEMBL3707822 single protein format
CHEMBL364935 OBDepict Br N H N N N H F F F N N H IC50 = 11.0 nM 449.23 FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2[nH]cnc2c1 Homo sapiens CHEMBL827874 single protein format
CHEMBL460102 OBDepict H 3 C N H 3 C H N O N H N N F N N CH 3 H 3 C H 3 C IC50 = 11.0 nM 451.55 Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018124 single protein format
CHEMBL3648118 OBDepict CH 3 O N H H HO CH 3 H N Br N N H S O NH CH 3 IC50 = 11.0 nM 444.36 COC[C@@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)[C@@H](C)O Homo sapiens CHEMBL3707822 single protein format
CHEMBL409892 OBDepict O HN N N H N S O O NH 2 IC50 = 12.0 nM 367.39 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc4ncccc4c32)cc1 Homo sapiens CHEMBL666140 single protein format
CHEMBL2158843 OBDepict OH N H N N N N H S O O NH 2 IC50 = 12.0 nM 400.46 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(NCCCO)c3)n2)c1 Homo sapiens CHEMBL2161546 single protein format
CHEMBL509406 OBDepict H 3 C N N H O F N H N N F N N H 3 C H 3 C H 3 C IC50 = 12.0 nM 469.54 Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018124 single protein format
CHEMBL402157 OBDepict O N H N N H N Cl S O O IC50 = 12.0 nM 404.88 O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12 Homo sapiens CHEMBL929005 single protein format
CHEMBL3644024 OBDepict H 3 C S CH 3 O O N H N N O F F F CH 3 H HO CH 3 H IC50 = 12.0 nM 433.45 CC(C)S(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(O[C@H](C)[C@@H](C)O)n2)cc1 Homo sapiens CHEMBL3705517 single protein format
CHEMBL409731 OBDepict CH 3 O O NH N H O S O O NH 2 IC50 = 12.0 nM 373.39 COC(=O)c1ccc2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL666140 single protein format
CHEMBL1964259 OBDepict OH O HN S O O N H O HN S N IC50 = 12.0 nM 460.54 O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCCOCCO)cc1 Homo sapiens CHEMBL666140 single protein format
CHEMBL99780 OBDepict CH 3 O S NH O HN H H 3 C IC50 = 12.0 nM 262.33 COc1ccc2sc3c(c2c1)NC[C@@H](C)NC3=O Homo sapiens CHEMBL1061559 single protein format
CHEMBL401064 OBDepict CH 3 HN CH 3 N N H N N H N N IC50 = 13.0 nM 433.52 CC(C)NCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12 Homo sapiens CHEMBL888275 single protein format
CHEMBL2012403 OBDepict H 2 N O N CH 3 N H N N N N H H H IC50 = 13.0 nM 365.44 Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@H]54)c3n2)cc1C(N)=O Homo sapiens CHEMBL2013813 single protein format
CHEMBL3648073 OBDepict Br N N O N H CH 3 H HO CH 3 H S O HN CH 3 IC50 = 13.0 nM 415.31 C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br Homo sapiens CHEMBL3707822 single protein format