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P61964 | WDR5_HUMAN | WD repeat-containing protein 5 (WDR5)

3D structures mapped by conservation among orthologs

[ Domain: "7-bladed" // ANAPC4_WD40_11 ]

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[ Domain: "7-bladed" // ANAPC4_WD40_18 ]

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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
CHEMBL4441671 OBDepict F N CH 3 N N H O HN N CH 3 Cl Cl Ki = 0.044 nM 498.39 Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1 Homo sapiens CHEMBL4380479 cell-based format
CHEMBL3798088 OBDepict CH 3 H N H O N H O H NH H O HN O N H CH 3 NH HN NH 2 O H 3 C CH 3 IC50 = 0.9 nM 586.74 CC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@](C)(NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccccc2)NC1=O Homo sapiens CHEMBL3801645 cell-based format
CHEMBL4291641 OBDepict H 3 C O CH 3 O N H O CH 3 H N N Ki = 0.902 nM 417.51 COc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(OC)c1C Homo sapiens CHEMBL4256789 assay format
CHEMBL4279907 OBDepict O N H H Cl Cl N N Ki = 2.51 nM 426.35 O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2ccc(-c3cn4c(n3)CCC4)cc21 Homo sapiens CHEMBL4256790 assay format
CHEMBL4293572 OBDepict O HN Cl O Cl N N Ki = 2.82 nM 470.4 O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4283374 OBDepict CH 3 O CH 3 N O O N N Ki = 3.53 nM 485.63 COc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)ccc1C Homo sapiens CHEMBL4256790 assay format
CHEMBL4287817 OBDepict CH 3 O CH 3 NH O H N N Ki = 4.94 nM 401.51 COc1cc(CC(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C Homo sapiens CHEMBL4256790 assay format
CHEMBL4845887 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O O IC50 = 6.5 nM 580.1 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3884329 OBDepict NH 2 NH O HN N O N Cl H 3 C H 2 N CH 3 F IC50 = 7.6 nM 553.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCCN)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL3884726 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O N H IC50 = 8.5 nM 579.12 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCNCC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4869658 OBDepict H 3 C N N HN N O N N Cl H 2 N CH 3 N H O F N CH 3 IC50 = 8.9 nM 584.1 Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4851969 OBDepict CH 3 N N NH N O N N Cl NH 2 CH 3 N O F N H 3 C IC50 = 9.0 nM 570.07 Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCN(C)CC4)nn3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4294174 OBDepict H 3 C O H 3 C N H O H N N Ki = 9.36 nM 401.51 COc1cc(C(=O)N[C@@H]2CCCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C Homo sapiens CHEMBL4256790 assay format
CHEMBL4277864 OBDepict O HN Cl O Cl N H 3 C CH 3 N Ki = 9.89 nM 458.39 CC(C)Oc1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4852951 OBDepict H 3 C N N HN N O N N Cl H 2 N CH 3 N O F O IC50 = 11.2 nM 557.03 Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4288521 OBDepict CH 3 O CH 3 N N O N Cl Cl Ki = 13.1 nM 512.48 CC(C)Oc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3885099 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O NH 2 H 3 C IC50 = 15.0 nM 539.06 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)N)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4863061 OBDepict H 3 C N N HN N O N N Cl H 2 N CH 3 N H O F O IC50 = 15.7 nM 571.06 Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)NC4CCOCC4)nn3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4852048 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O N CH 3 IC50 = 15.8 nM 593.15 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCN(C)CC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4291223 OBDepict CH 3 O H 3 C N H O O N N Ki = 16.4 nM 431.54 COc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)ccc1C Homo sapiens CHEMBL4256790 assay format
CHEMBL3884291 OBDepict H 3 C N N HN O Cl N H 2 N CH 3 F IC50 = 18.2 nM 453.95 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccncc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL1085865 OBDepict NH 2 HN NH N H H N H O O H HN CH 3 H OH H 3 C H O NH 2 O CH 3 Ki = 20.0 nM 387.44 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL4285163 OBDepict O N H Cl N Cl N N O Ki = 20.7 nM 485.42 O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)ccc1N1CCOCC1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4294133 OBDepict H 3 C O N O O N N Ki = 22.8 nM 471.6 COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3957478 OBDepict CH 3 N N N H O O O Cl NH 2 CH 3 F IC50 = 26.4 nM 496.97 Cc1c(F)c(N)cc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3859786 single protein format
CHEMBL4286527 OBDepict H 3 C O N O O N CH 3 H 3 C N Ki = 27.6 nM 459.59 COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)CC2CC2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4283339 OBDepict O N O Cl Cl N N Ki = 28.9 nM 524.49 O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1)CC1CC1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3884527 OBDepict H 3 C N N HN O Cl H 2 N CH 3 N H F O H 2 N CH 3 CH 3 IC50 = 30.1 nM 553.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)(C)N)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4850959 OBDepict CH 3 N N NH N O N N Cl NH 2 CH 3 N O F H 3 C H 3 C IC50 = 33.9 nM 514.99 Cc1c(F)c(N)cc(C(=O)Nc2cc(-n3cc(C(=O)N(C)C)nn3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4278618 OBDepict CH 3 O N N O N O CH 3 Ki = 42.5 nM 445.56 CCOc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)c1cccc(OC)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3907289 OBDepict CH 3 O O N H N O N Cl CH 3 H 2 N CH 3 F IC50 = 46.5 nM 434.9 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL3884136 OBDepict H 3 C N N HN O Cl H 2 N CH 3 F IC50 = 47.9 nM 452.96 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL3885308 OBDepict NH 2 HN O NH N O N Cl CH 3 NH 2 CH 3 F IC50 = 50.2 nM 539.06 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCN)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4292999 OBDepict O HN Cl N Cl CH 3 CH 3 N N Ki = 51.9 nM 443.38 CN(C)c1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4847277 OBDepict CH 3 N N NH O Cl NH 2 CH 3 F N O O IC50 = 55.6 nM 566.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3962459 OBDepict CH 3 N N N H O O O Cl NH 2 CH 3 F IC50 = 58.8 nM 503.02 Cc1c(F)c(N)cc(C(=O)Nc2cc(C(=O)OC3CCCCC3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3859786 single protein format
CHEMBL3885025 OBDepict NH 2 HN O NH N O N Cl CH 3 NH 2 CH 3 F IC50 = 62.5 nM 525.03 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CN)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4284408 OBDepict H 3 C N N H O H N N Ki = 65.1 nM 358.45 Cc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccn1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4868706 OBDepict CH 3 O O N N N HN N O N Cl H 3 C NH 2 H 3 C F IC50 = 67.8 nM 501.95 COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)nn1 Homo sapiens CHEMBL4832186 single protein format
CHEMBL3884212 OBDepict H 3 C O O NH N O N Cl CH 3 NH 2 CH 3 F IC50 = 70.0 nM 511.0 COC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL3885048 OBDepict CH 3 N N NH O Cl NH 2 CH 3 HN F O H 3 C IC50 = 70.1 nM 510.01 CC(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL4868755 OBDepict H 3 C N N HN O Cl H 2 N CH 3 F N O CH 3 CH 3 IC50 = 73.0 nM 524.04 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3884230 OBDepict H 3 C N N HN O Cl H 2 N CH 3 N H F O IC50 = 75.8 nM 536.05 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL3885462 OBDepict CH 3 N H O HN N O N Cl H 3 C NH 2 H 3 C F IC50 = 76.0 nM 538.07 CCCC(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL4285902 OBDepict H 3 C O NH O O N H 3 C H 3 C N Ki = 76.1 nM 405.5 COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3885279 OBDepict CH 3 N N NH O Cl N + N CH 3 O _ O F IC50 = 77.1 nM 483.93 Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccncc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL1085604 OBDepict HO O HN H O H 2 N O HN CH 3 H O N H H O NH CH 3 H NH O CH 3 HN NH 2 Ki = 80.0 nM 486.53 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL1085865 OBDepict NH 2 HN NH N H H N H O O H HN CH 3 H OH H 3 C H O NH 2 O CH 3 IC50 = 80.0 nM 387.44 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL3884501 OBDepict CH 3 N H O HN N O N Cl H 3 C NH 2 H 3 C F IC50 = 81.5 nM 524.04 CCC(=O)Nc1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)cc1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL3885241 OBDepict H 3 C N N HN O Cl H 2 N CH 3 NH 2 F IC50 = 88.7 nM 467.98 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(N)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL3885409 OBDepict CH 3 O O HN N O N Cl H 3 C + N H 3 C O _ O F IC50 = 92.5 nM 540.98 COC(=O)c1ccc(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc([N+](=O)[O-])c(F)c(C)c3Cl)c2)cc1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL4847340 OBDepict H 3 C N N HN O Cl NH NH 2 CH 3 F O N H 3 C IC50 = 93.5 nM 555.1 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCN(C)CC3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4280428 OBDepict CH 3 O CH 3 N H O N N Ki = 95.0 nM 361.45 COc1cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)ccc1C Homo sapiens CHEMBL4256790 assay format
CHEMBL4857312 OBDepict H 3 C N N HN O Cl NH H 2 N CH 3 F O O IC50 = 95.3 nM 542.06 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCOCC3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3884538 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O CH 3 H 3 C IC50 = 95.6 nM 538.07 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4878567 OBDepict CH 3 N N NH O Cl NH 2 CH 3 F O OH IC50 = 98.8 nM 496.97 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3985587 OBDepict CH 3 N H H O H 2 N O NH H O N H H 3 C H N H O CH 3 HN H 2 N IC50 < 100.0 nM 371.44 CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(C)=O)C(N)=O Homo sapiens CHEMBL3887835 single protein format
CHEMBL3823308 OBDepict H 3 C N N HN O Cl N CH 3 F IC50 = 103.9 nM 438.93 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL3885261 OBDepict H 3 C CH 3 HN O NH N O N Cl CH 3 NH 2 CH 3 F IC50 = 104.6 nM 552.09 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CC(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4284733 OBDepict H 3 C O N H O O N N Ki = 105.0 nM 417.51 COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4288724 OBDepict O N H Cl Cl N N Ki = 118.0 nM 400.31 O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2cn3c(n2)CCC3)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL1086455 OBDepict NH 2 HN NH N H H N H O O CH 3 H HN CH 3 H O H 2 N O CH 3 Ki = 120.0 nM 357.42 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL4877455 OBDepict OH NH O HN N O N Cl H 3 C H 2 N CH 3 F IC50 = 125.0 nM 556.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C3CCC(O)CC3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3822521 OBDepict H 3 C N N HN O Cl CH 3 + N F O _ O IC50 = 127.4 nM 482.94 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL3822691 OBDepict CH 3 N N N H + N O O _ O Cl + N CH 3 O _ O F IC50 = 130.0 nM 451.84 Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL4852501 OBDepict OH HN O N H N O N Cl CH 3 NH 2 CH 3 F IC50 = 147.9 nM 530.04 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CCCCO)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4288010 OBDepict H 3 C O N N O N O H 3 C Ki = 148.0 nM 431.54 COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC)CC2CC2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL1084621 OBDepict CH 3 NH O NH H 3 C H O N H H O N H CH 3 H N H O CH 3 NH H 2 N Ki = 150.0 nM 371.44 CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(C)=O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL1086531 OBDepict OH O N H H N H O O H NH H 3 C H O NH 2 CH 3 H 3 C O N H H O N H CH 3 H N H O CH 3 NH H 2 N Ki = 160.0 nM 585.66 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(N)=O)C(C)C Homo sapiens CHEMBL1118768 cell-based format
CHEMBL3913104 OBDepict CH 3 N N N H O O O Cl H 3 C F IC50 = 162.4 nM 481.96 Cc1c(F)ccc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3859786 single protein format
CHEMBL4859991 OBDepict CH 3 N N N H O Cl N H H 2 N CH 3 F O O IC50 = 179.4 nM 556.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)CC3CCOCC3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL4284948 OBDepict CH 3 O CH 3 N H O N N Ki = 184.0 nM 361.45 COc1cc(C)cc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4276791 OBDepict H 3 C O NH O N CH 3 H 3 C N N Ki = 185.0 nM 390.49 COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N(C)C)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3885231 OBDepict CH 3 N N NH O N + N F O _ O IC50 = 197.6 nM 435.46 CN1CCN(c2ccc(-c3ccncc3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL3823328 OBDepict N HN N O N Cl H 3 C CH 3 F IC50 = 198.5 nM 462.96 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL3822596 OBDepict CH 3 N N NH O Cl CH 3 H 2 N F IC50 = 206.1 nM 452.96 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(N)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL3823310 OBDepict CH 3 N N NH O Cl + N CH 3 O _ O F IC50 = 207.2 nM 482.94 Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL4294825 OBDepict H 3 C O N O N N Ki = 219.0 nM 401.51 COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3971604 OBDepict CH 3 O O N H N O N Cl CH 3 + N CH 3 O _ O F IC50 = 244.9 nM 464.88 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc([N+](=O)[O-])c(F)c(C)c2Cl)c1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL3903051 OBDepict CH 3 N N N H O O O Cl CH 3 H 3 C CH 3 F IC50 = 263.5 nM 447.94 Cc1c(F)ccc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3859786 single protein format
CHEMBL3922104 OBDepict CH 3 O O N H N O N Cl CH 3 CH 3 F IC50 = 283.9 nM 433.91 CCOC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(C)c2Cl)c1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL3884315 OBDepict CH 3 N N NH O + N + N O _ O O _ O IC50 = 285.1 nM 461.48 CN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 Homo sapiens CHEMBL3875502 single protein format
CHEMBL3884058 OBDepict CH 3 N N NH O Cl + N CH 3 + N O _ O F O _ O IC50 = 285.3 nM 527.94 Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL2337032 OBDepict CH 3 N N N H + N O O _ O Cl H 3 C F IC50 = 338.6 nM 406.85 Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL3884705 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O IC50 = 340.8 nM 578.13 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL4846292 OBDepict CH 3 N N N H O Cl HN NH 2 CH 3 F O NH 2 CH 3 CH 3 IC50 = 390.2 nM 529.06 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)C(N)C(C)C)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3822660 OBDepict CH 3 N N NH O Cl CH 3 F F IC50 = 392.6 nM 455.94 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL1085604 OBDepict HO O HN H O H 2 N O HN CH 3 H O N H H O NH CH 3 H NH O CH 3 HN NH 2 IC50 = 400.0 nM 486.53 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(N)=O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL3884738 OBDepict CH 3 N N NH O Cl NH 2 CH 3 N H F O IC50 = 421.9 nM 572.08 Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3875502 single protein format
CHEMBL3942025 OBDepict CH 3 O O N H N O N Cl CH 3 CH 3 F IC50 = 433.2 nM 419.88 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(C)c2Cl)c1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL4853161 OBDepict NH 2 N H N O N Cl CH 3 NH 2 CH 3 F IC50 = 443.8 nM 429.93 Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCN)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL4832186 single protein format
CHEMBL3950744 OBDepict CH 3 O O N H N O N CH 3 + N F O _ O IC50 = 454.0 nM 416.41 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL3823476 OBDepict H 3 C N N HN O Cl CH 3 F IC50 = 465.7 nM 437.95 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL4291414 OBDepict CH 3 O N O CH 3 N N Ki = 473.0 nM 361.45 COc1cccc(C(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL4284629 OBDepict CH 3 O N N O N N Ki = 480.0 nM 402.5 COc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)ccn1 Homo sapiens CHEMBL4256790 assay format
CHEMBL3904098 OBDepict CH 3 N N N H O O O + N F O _ O IC50 = 483.5 nM 478.48 CN1CCN(c2ccc(C(=O)Oc3ccccc3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 Homo sapiens CHEMBL3859786 single protein format
CHEMBL4286932 OBDepict CH 3 O N O CH 3 H 3 C N N Ki = 503.0 nM 389.5 COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C)C)c1 Homo sapiens CHEMBL4256790 assay format
CHEMBL1086455 OBDepict NH 2 HN NH N H H N H O O CH 3 H HN CH 3 H O H 2 N O CH 3 IC50 = 540.0 nM 357.42 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O Homo sapiens CHEMBL1118768 cell-based format
CHEMBL3823415 OBDepict H 3 C N N HN O Cl CH 3 F O OH IC50 = 660.9 nM 481.96 Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)ccc2N2CCN(C)CC2)c1Cl Homo sapiens CHEMBL3824742 assay format
CHEMBL4278737 OBDepict CH 3 O N H O N N Ki = 665.0 nM 347.42 COc1cccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1 Homo sapiens CHEMBL4256790 assay format