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Q92918 | M4K1_HUMAN | Mitogen-activated protein kinase kinase kinase kinase 1 (MAP4K1)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -1900.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804389 cell-based format
CHEMBL4859451 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 O CH 3 IC50 = 0.005 nM 434.5 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3OC)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4870155 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 F F H 3 C IC50 = 0.027 nM 468.51 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(F)F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4848845 OBDepict CH 3 O H 3 C H N H N N NH O H 2 N O CH 3 N H 3 C IC50 = 0.037 nM 462.55 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3[C@H](C)OC)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4864568 OBDepict CH 3 O NH N N N H O NH 2 O CH 3 N H 3 C IC50 = 0.037 nM 448.53 COCc1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN(C)C3)ncc1C(N)=O Homo sapiens CHEMBL4818576 single protein format
CHEMBL4758698 OBDepict O N H F N H N CH 3 N H O IC50 = 0.05 nM 416.46 Cc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc(C4CC4)[nH]2)C(=O)N3)cnc2c1NCCO2 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4799073 OBDepict O N H N F H N N CH 3 N H O IC50 = 0.05 nM 427.44 Cc1c(-c2cc3c(cc2F)NC(=O)/C3=Cc2cc3ncccc3[nH]2)cnc2c1NCCO2 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4750047 OBDepict O N H N H N CH 3 N H O IC50 = 0.05 nM 408.46 Cc1c(-c2ccc3c(c2)/C(=C/c2cc4ccccc4[nH]2)C(=O)N3)cnc2c1NCCO2 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4786511 OBDepict O N H N H CH 3 N CH 3 N H O IC50 = 0.05 nM 372.43 Cc1ccc(/C=C2C(=O)Nc3ccc(-c4cnc5c(c4C)NCCO5)cc32)[nH]1 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4866139 OBDepict H 3 C O N H N N N H 3 C N H O H 2 N S O O NH 2 IC50 = 0.052 nM 483.55 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3S(N)(=O)=O)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4776545 OBDepict O N H N H N N CH 3 N H O IC50 = 0.06 nM 409.45 Cc1c(-c2ccc3c(c2)/C(=C/c2cc4cnccc4[nH]2)C(=O)N3)cnc2c1NCCO2 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4865305 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 OH IC50 = 0.061 nM 434.5 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3CO)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4855158 OBDepict CH 3 O H 3 C N H N N NH O H 2 N O CH 3 N H 3 C IC50 = 0.067 nM 462.55 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)OC)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4747653 OBDepict N N H O N H N H 3 C HN O IC50 = 0.07 nM 383.41 Cc1c(-c2ccc3c(c2)/C(=C/c2cc(C#N)c[nH]2)C(=O)N3)cnc2c1NCCO2 Homo sapiens CHEMBL4739607 cell-based format
CHEMBL4863492 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 Br IC50 = 0.094 nM 483.37 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3Br)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4872743 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 F F F IC50 = 0.11 nM 472.47 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(F)(F)F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4866616 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 Cl IC50 = 0.13 nM 438.92 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3Cl)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4879259 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 F F IC50 = 0.16 nM 440.45 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4860645 OBDepict CH 3 O N H N N N H 3 C NH O NH 2 O IC50 = 0.16 nM 474.57 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C3CCCO3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4849567 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 CH 3 IC50 = 0.2 nM 418.5 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4857184 OBDepict CH 3 O N H N N N H 3 C NH O NH 2 N O O IC50 = 0.22 nM 489.54 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3N3CCOC3=O)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4778959 OBDepict OH HN H N N NH O N N H 3 C H 3 C O N O H 3 C IC50 = 0.22 nM 555.64 CN1CCC(c2noc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)n2)CC1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4878586 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 F F F F IC50 = 0.25 nM 490.46 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3C(F)(F)F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4874375 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 H 3 C H 3 C CH 3 IC50 = 0.26 nM 460.58 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(C)C)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4780798 OBDepict HO NH H N N N H O N N CH 3 H 3 C O N O IC50 = 0.28 nM 567.65 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C56CCN(CC5)CC6)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4871382 OBDepict H 3 C O HN N N N CH 3 N H O NH 2 IC50 = 0.29 nM 396.5 COc1cc2c(cc1Nc1ncc(C(N)=O)c(NC3CCCC3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4873035 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 CH 3 F IC50 = 0.3 nM 436.49 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4859773 OBDepict CH 3 O NH N N N H 3 C N H O H 2 N F OH IC50 = 0.46 nM 452.49 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(F)cccc3CO)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4851277 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 F IC50 = 0.59 nM 422.46 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3F)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4868682 OBDepict H 3 C O N H N N N CH 3 NH O NH 2 O IC50 = 0.69 nM 488.59 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C3CCCOC3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4868487 OBDepict CH 3 O NH N N N H 3 C N H O H 2 N IC50 = 0.88 nM 404.47 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4797075 OBDepict CH 3 O F N N N N N N H 3 C IC50 = 1.1 nM 444.51 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3CCC(C2)N3C)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4789200 OBDepict OH HN H N N N H O N N H 3 C H 3 C O N O IC50 = 1.2 nM 535.56 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(-c5ccncc5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4763655 OBDepict H 3 C O F N N N N N H N CH 3 H 3 C IC50 = 1.2 nM 432.5 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC[C@H](N(C)C)C2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4750822 OBDepict HO NH H N N N H O N N H 3 C CH 3 CH 3 H 3 C O O IC50 = 1.3 nM 500.56 CC(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4759406 OBDepict HO NH H N N N H O N N CH 3 CH 3 H 3 C CH 3 H 3 C O O IC50 = 1.4 nM 514.59 CC(C)(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4758114 OBDepict HO NH H N N N H O N N H 3 C CH 3 H 3 C O O IC50 = 1.5 nM 486.53 CCc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4778477 OBDepict H 3 C O F N N N N Cl N N CH 3 IC50 = 1.8 nM 452.92 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cc(Cl)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4794486 OBDepict CH 3 O F N N N N N H H N H 3 C IC50 = 1.9 nM 430.49 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2C[C@@H]3C[C@H]2CN3C)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4795146 OBDepict N N N F O CH 3 N N N H 3 C IC50 = 2.0 nM 442.5 COc1cccc(F)c1-c1cc2c(cnn2-c2cccc(N3CCN(C)CC3)n2)cc1C#N Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4779496 OBDepict HO NH H N N N H N O N CH 3 CH 3 H 3 C O O IC50 = 2.2 nM 472.51 Cc1nnc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)o1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4748154 OBDepict OH HN H N N N H N O N H 3 C H 3 C O O IC50 = 2.6 nM 458.48 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4760447 OBDepict H 3 C O F N N N N N N CH 3 IC50 = 2.6 nM 418.48 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4784181 OBDepict OH N H H N N NH O N N CH 3 H 3 C O O IC50 = 2.6 nM 498.54 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C5CC5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4778314 OBDepict H 3 C O F N N N N N N H IC50 = 3.8 nM 404.45 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCNCC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4790192 OBDepict HO NH H N N N H O N N CH 3 CH 3 H 3 C O O IC50 = 4.0 nM 472.51 Cc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4784784 OBDepict OH HN H N N N H N O N H 3 C H 3 C O O IC50 = 4.0 nM 498.54 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C5CC5)o4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4878650 OBDepict CH 3 O NH N N N H 3 C N H F F F IC50 = 4.4 nM 429.45 COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Nc3ccccc3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4761884 OBDepict OH HN H N N N H N H O CH 3 CH 3 CH 3 O O IC50 = 5.1 nM 447.5 CNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4789558 OBDepict H 3 C O F N N N N N N N CH 3 IC50 = 6.7 nM 419.46 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4748045 OBDepict CH 3 O O N N N H HN H OH CH 3 CH 3 O O IC50 = 7.3 nM 462.51 CCOC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4860928 OBDepict CH 3 O HN N N N CH 3 N H CH 3 IC50 = 7.7 nM 375.48 COc1cc2c(cc1Nc1ncc(C)c(Nc3ccccc3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4873991 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 CH 3 Br IC50 = 8.3 nM 497.4 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3Br)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4793665 OBDepict CH 3 N N S N O NH 2 N IC50 = 8.6 nM 395.53 CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1 Homo sapiens CHEMBL4674072 single protein format
CHEMBL4745491 OBDepict H 3 C N N N N N H N N IC50 = 9.1 nM 399.5 CN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn6c5CCC6)cc34)ccn2)CC1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4749598 OBDepict H 3 C N H O N N N H NH H HO H 3 C H 3 C O O IC50 = 9.3 nM 475.55 CCCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4741772 OBDepict OH HN H N N NH N O N H 3 C H 3 C O N O H 3 C IC50 = 10.0 nM 555.64 CN1CCC(c2nnc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)o2)CC1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4782526 OBDepict CH 3 HN N O N N N N N F O CH 3 IC50 = 11.0 nM 461.5 CNC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4856183 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 OH H 3 C H 3 C IC50 = 11.4 nM 462.55 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3ccccc3C(C)(C)O)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4783731 OBDepict CH 3 O F N N N N N N H IC50 = 13.0 nM 444.51 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3(CCCNC3)C2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4745378 OBDepict CH 3 N H O N N N H HN H OH CH 3 CH 3 O O IC50 = 14.0 nM 461.52 CCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4876320 OBDepict CH 3 O HN N N N CH 3 N H O NH 2 CH 3 CH 3 IC50 = 14.0 nM 432.53 COc1cc2c(cc1Nc1ncc(C(N)=O)c(Nc3c(C)cccc3C)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4746358 OBDepict H 3 C N N N N N H N N N IC50 = 15.0 nM 400.49 CN1CCN(c2cc(-c3n[nH]c4cnc(-c5cnn6c5CCC6)cc34)ccn2)CC1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4776227 OBDepict OH HN H N N N H O NH 2 H 3 C H 3 C O O IC50 = 15.0 nM 433.47 CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4758887 OBDepict HO NH H N N NH N O N H 3 C CH 3 O N O IC50 = 16.0 nM 567.65 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C56CCN(CC5)CC6)o4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4739893 OBDepict H 3 C NH N N N N N F O CH 3 IC50 = 17.0 nM 432.5 CNC1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4793633 OBDepict OH HN H N N N H N H O H 3 C CH 3 N IC50 = 20.0 nM 416.49 CCc1cc(Nc2ncc(C(=O)NC)c(N[C@H](CO)c3ccccc3)n2)ccc1C#N Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4758572 OBDepict OH HN H N N N H O N N H 3 C H 3 C O O F IC50 = 26.0 nM 552.57 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(-c5ccc(F)cc5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4754671 OBDepict N N N CH 3 F N N H 3 C IC50 = 28.0 nM 425.51 Cc1cccc(F)c1-c1cc2c(cnn2-c2ccc(N3CCN(C)CC3)cc2)cc1C#N Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4761304 OBDepict OH HN H N N N H N H O CH 3 CH 3 CH 3 CH 3 O O IC50 = 29.0 nM 475.55 CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4785237 OBDepict CH 3 O F N N N N N N CH 3 IC50 = 31.0 nM 418.48 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cn1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4755396 OBDepict CH 3 O N O N N N N N F O CH 3 IC50 = 32.0 nM 462.49 COC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4743506 OBDepict H 3 C O F N N N N N H 2 N IC50 = 32.0 nM 390.42 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC(N)C2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4745494 OBDepict H 3 C O F N N N N N O IC50 = 34.0 nM 405.43 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCOCC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4798451 OBDepict H 3 C O F N N N N N IC50 = 40.0 nM 403.46 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCCC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4213767 OBDepict CH 3 N N N N H NH 2 O N S H IC50 < 50.0 nM 380.48 CN1CCN(c2ccc3nc(-c4c(N)c5sccc5[nH]c4=O)[nH]c3c2)CC1 Homo sapiens CHEMBL4184947 single protein format
CHEMBL4214886 OBDepict CH 3 N N N N H NH 2 O N H S IC50 < 50.0 nM 380.48 CN1CCN(c2ccc3nc(-c4c(N)c5ccsc5[nH]c4=O)[nH]c3c2)CC1 Homo sapiens CHEMBL4184947 single protein format
CHEMBL6291 OBDepict H 2 N S NH N O N H O N H 3 C IC50 = 52.9 nM 457.56 Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL4328448 single protein format
CHEMBL4776921 OBDepict H 3 C O F N N N N N N CH 3 IC50 = 60.0 nM 418.48 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccnc(N2CCN(C)CC2)c1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4868527 OBDepict CH 3 O NH N N N H 3 C N H IC50 = 64.0 nM 361.45 COc1cc2c(cc1Nc1nccc(Nc3ccccc3)n1)CN(C)CC2 Homo sapiens CHEMBL4818576 single protein format
CHEMBL4779011 OBDepict CH 3 O F N N N N N CH 3 IC50 = 89.0 nM 417.49 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4796740 OBDepict H 3 C O F N N N N O IC50 = 101.0 nM 404.45 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCOCC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4789586 OBDepict CH 3 O N N N N F O CH 3 IC50 = 103.0 nM 350.35 COc1cccc(-n2ncc3cnc(-c4c(F)cccc4OC)cc32)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4763505 OBDepict CH 3 O F N N N N N IC50 = 109.0 nM 389.43 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4793479 OBDepict HO N H H N NH N H O CH 3 S N IC50 = 110.0 nM 419.51 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4756863 OBDepict H 3 C O N N N N N N H 3 C IC50 = 120.0 nM 400.49 COc1ccncc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4748687 OBDepict H 3 C N N N N N H 3 C F IC50 = 121.0 nM 401.49 Cc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4786165 OBDepict H 3 C NH F N N N N N H 3 C IC50 = 193.0 nM 456.57 CNC1CCc2c1ccc(F)c2-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4747110 OBDepict H 3 C O F N N N N N O IC50 = 213.0 nM 403.42 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2=O)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4798403 OBDepict H 3 C N N N N N H 3 C CH 3 IC50 = 284.0 nM 397.53 Cc1cccc(C)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4743780 OBDepict H 3 C O F N N N N N CH 3 IC50 = 408.0 nM 417.49 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCN(C)CC2)c1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4754265 OBDepict CH 3 N N N N N CH 3 IC50 = 410.0 nM 383.5 Cc1ccccc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4784231 OBDepict H 3 C O F N N N N NH 2 IC50 = 518.0 nM 335.34 COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N)n1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4783606 OBDepict H 3 C O F N N N N N H 3 C IC50 = 557.0 nM 431.52 CCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1 Homo sapiens CHEMBL4725171 cell-based format
CHEMBL4752693 OBDepict OH HN H N N N H O OH H 3 C H 3 C O O IC50 = 730.0 nM 434.45 CC1(C)OC(=O)c2ccc(Nc3ncc(C(=O)O)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689490 cell-based format
CHEMBL4788183 OBDepict CH 3 N N N N N IC50 = 826.0 nM 369.47 CN1CCN(c2ccc(-n3ncc4cnc(-c5ccccc5)cc43)cc2)CC1 Homo sapiens CHEMBL4725171 cell-based format