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Q07912 | ACK1_HUMAN | Activated CDC42 kinase 1 (TNK2)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH3" // SH3_1 ]

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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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -39000.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804337 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -18800.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804337 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -17300.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804337 cell-based format
CHEMBL2087874 OBDepict CH 3 N H 3 C O O N N H N S S Ki = 0.2 nM 492.67 CN(C)CCOc1ccc(-c2oc3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087873 OBDepict CH 3 N CH 3 O N H N HN N S S Ki = 0.3 nM 491.69 CN(C)CCOc1ccc(-c2[nH]c3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087875 OBDepict H N N N HN O S S N Ki = 0.3 nM 517.72 c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL247667 OBDepict O HN N N O N IC50 = 1.0 nM 504.63 c1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCC5)cc4)c(-c4ccccc4)c23)cc1 Homo sapiens CHEMBL903634 single protein format
CHEMBL2087652 OBDepict H N N N NH S N O O H 3 C CH 3 H O Ki = 2.0 nM 477.59 CN(C)S(=O)(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087662 OBDepict O N H 3 C CH 3 N H N N N H H O Ki = 2.0 nM 441.54 CN(C)C(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL487242 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C IC50 = 2.0 nM 430.56 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL3429155 single protein format
CHEMBL487897 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C N N H 3 C Ki = 2.0 nM 528.71 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL2087654 OBDepict H 3 C NH S O O N H N N NH H O Ki = 2.0 nM 463.56 CNS(=O)(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL472392 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C N HN Ki = 2.0 nM 514.68 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 2.7 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL1244331 single protein format
CHEMBL2087664 OBDepict CH 3 N H O N H N N N H H O Ki = 3.0 nM 427.51 CNC(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL450918 OBDepict CH 3 O CH 3 CH 3 N N N N H N N H H 3 C H 3 C F O N Ki = 3.0 nM 589.76 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL502156 OBDepict H 3 C O CH 3 H 3 C N N N N H N N H CH 3 CH 3 F O N Ki = 3.0 nM 561.71 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL458333 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C O N Ki = 3.0 nM 543.72 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL487242 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C Ki = 3.0 nM 430.56 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL2087660 OBDepict O N O N H N N HN H O Ki = 4.0 nM 497.6 O=C1CCCN1CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087872 OBDepict F N N N H N H H O O N Ki = 4.0 nM 501.61 Fc1ccccc1-c1c(-c2ccc(OCCN3CCCC3)cc2)[nH]c2ncnc(NC[C@@H]3CCCO3)c12 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087656 OBDepict H O N H N N O O N O Ki = 4.0 nM 500.6 c1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c23)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087659 OBDepict O N O O N N NH H O Ki = 4.0 nM 498.58 O=C1CCCN1CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087653 OBDepict CH 3 HN S O O O N N NH H O Ki = 4.0 nM 464.55 CNS(=O)(=O)c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087879 OBDepict CH 3 N H 3 C O O N NH N S S Ki = 4.0 nM 506.7 CN(C)CCOc1ccc(-c2oc3ncnc(NCC4SCCCS4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL4640664 OBDepict CH 3 O N N H N N N CH 3 N HN CH 3 O IC50 = 4.0 nM 445.53 COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL4642708 OBDepict H 3 C O N N H N N N CH 3 N HN CH 3 O IC50 = 4.0 nM 459.55 CCOc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL4641234 OBDepict CH 3 O N N H N N H CH 3 HN H H 3 C N NH H 3 C O IC50 = 4.0 nM 459.55 COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL4611611 assay format
CHEMBL247479 OBDepict CH 3 N H 3 C O O N N H N H O Ki = 5.0 nM 458.56 CN(C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087648 OBDepict H 3 C O O N N H N H O Ki = 5.0 nM 401.47 COc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL487054 OBDepict CH 3 N CH 3 N N N N H N N H Cl Cl Ki = 5.0 nM 456.38 CN(C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL487241 OBDepict H 3 C N H 3 C N N N N H N N H Cl Cl Ki = 5.0 nM 442.35 CN(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL2087665 OBDepict O N O O N N H N H O Ki = 6.0 nM 484.56 O=C(c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1)N1CCOCC1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087658 OBDepict H N N N NH O H O N Ki = 6.0 nM 483.62 c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c23)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087657 OBDepict H N N N HN O H O N O Ki = 6.0 nM 499.62 c1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c23)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087666 OBDepict O N O N H N N H N H O Ki = 6.0 nM 483.57 O=C(c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1)N1CCOCC1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087655 OBDepict H 3 C N CH 3 O N H N N H N H O Ki = 6.0 nM 457.58 CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087647 OBDepict H N N N N H H O Ki = 6.0 nM 370.46 c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087649 OBDepict CH 3 O N H N N H N H O Ki = 6.0 nM 400.48 COc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL4646285 OBDepict H 3 C N N CH 3 N H N N N N H H 3 C O IC50 = 6.0 nM 429.53 Cc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL247677 OBDepict CH 3 N N O N N H N H O IC50 = 7.0 nM 483.62 CN1CCN(Cc2ccc(-c3oc4ncnc(NC[C@@H]5CCCO5)c4c3-c3ccccc3)cc2)CC1 Homo sapiens CHEMBL903634 single protein format
CHEMBL4645836 OBDepict OH N N O CH 3 N H N N N HN CH 3 O IC50 = 7.0 nM 475.55 COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1CCN(CCO)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL4641789 OBDepict HO N N H N N N NH H 3 C O IC50 = 7.0 nM 416.49 CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21 Homo sapiens CHEMBL4611611 assay format
CHEMBL2087651 OBDepict H N N N NH S O O CH 3 H O Ki = 7.0 nM 448.55 CS(=O)(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL487243 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H Cl Cl Ki = 7.0 nM 471.39 COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL2087650 OBDepict H O NH N N O S O O CH 3 Ki = 8.0 nM 449.53 CS(=O)(=O)c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087876 OBDepict CH 3 N H 3 C O O N N H N S Ki = 8.0 nM 474.63 CN(C)CCOc1ccc(-c2oc3ncnc(NCC4CCCS4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL4213673 OBDepict O N N CH 3 N CH 3 N N H N H O N CH 3 N CH 3 F F F IC50 = 9.0 nM 550.55 Cc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)n(C)n1 Homo sapiens CHEMBL4201008 single protein format
CHEMBL2087875 OBDepict H N N N HN O S S N IC50 = 10.0 nM 517.72 c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1 Homo sapiens CHEMBL2329235 single protein format
CHEMBL2087661 OBDepict O N CH 3 H 3 C O N N N H H O Ki = 10.0 nM 442.52 CN(C)C(=O)c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087667 OBDepict H 3 C N CH 3 O N H N N H N H O Ki = 10.0 nM 461.61 CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2C2=CCCCC2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087671 OBDepict CH 3 O N N N H N H H O O N Ki = 10.0 nM 513.64 COc1cccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c23)c1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl Ki < 10.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4312066 assay format
CHEMBL461159 OBDepict OH OH H N N N N H N N H Cl Cl Ki = 10.0 nM 459.34 OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL462189 OBDepict CH 3 N N N N N N H N N H Cl Cl Ki = 10.0 nM 497.43 CN1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc32)CC1 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL488061 OBDepict Cl N H Cl N N N N N N H H N CH 3 H 3 C Ki = 10.0 nM 511.46 CN(C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc32)C1 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL3586447 OBDepict CH 3 N N N H N NH 2 O NH 2 IC50 = 11.0 nM 318.34 Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12 Homo sapiens CHEMBL3588250 single protein format
CHEMBL4648763 OBDepict CH 3 N N Cl N H N N N N H CH 3 O IC50 = 11.0 nM 449.95 CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4)cc2Cl)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL247479 OBDepict CH 3 N H 3 C O O N N H N H O IC50 = 11.0 nM 458.56 CN(C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL903634 single protein format
CHEMBL459220 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C CH 3 N N H 3 C Ki = 12.0 nM 542.73 COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL487896 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H Cl Cl N HN Ki = 12.0 nM 555.51 COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL4640785 OBDepict CH 3 O N H N N N CH 3 N HN CH 3 O IC50 = 13.0 nM 444.54 COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1C1CCN(C)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL4788961 OBDepict CH 3 O N N H N N N H 3 C NH N H O H 3 C IC50 = 13.0 nM 445.53 COc1cc(Nc2ncc3c(n2)-c2ccc(C)cc2NC(=O)N3)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL4701282 assay format
CHEMBL247878 OBDepict CH 3 N N O O N N H N H O IC50 = 13.0 nM 511.63 CCN1CCN(C(=O)c2ccc(-c3oc4ncnc(NC[C@@H]5CCCO5)c4c3-c3ccccc3)cc2)CC1 Homo sapiens CHEMBL903634 single protein format
CHEMBL2087877 OBDepict CH 3 N H 3 C O O N N H N O O Ki = 13.0 nM 460.53 CN(C)CCOc1ccc(-c2oc3ncnc(NCC4OCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087663 OBDepict CH 3 N H O O N N N H H O Ki = 13.0 nM 428.49 CNC(=O)c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 = 14.27 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3224478 single protein format
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N IC50 = 15.0 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3129255 single protein format
CHEMBL4640316 OBDepict CH 3 N N N H N N N N H CH 3 O IC50 = 16.0 nM 415.5 CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4)cc2)CC1 Homo sapiens CHEMBL4611611 assay format
CHEMBL247480 OBDepict H O N H N N O O N IC50 = 16.0 nM 484.6 c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c23)cc1 Homo sapiens CHEMBL903634 single protein format
CHEMBL3286830 OBDepict N N H 3 C N N N O CH 3 NH 2 O H CH 3 F IC50 = 17.0 nM 406.42 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293406 single protein format
CHEMBL247880 OBDepict NH N N H N N O N O IC50 = 17.0 nM 484.6 c1ccc(-c2c(-c3ccc(N4CCOCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1 Homo sapiens CHEMBL903634 single protein format
CHEMBL459850 OBDepict O N N H 3 C N H 3 C N N H H 2 N O F F F IC50 = 18.0 nM 456.43 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O Homo sapiens CHEMBL4201008 single protein format
CHEMBL4635845 OBDepict CH 3 N NH N H N N N N H CH 3 O IC50 = 18.0 nM 477.57 CN1CCc2cc(Nc3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5)cc3)ccc2C1 Homo sapiens CHEMBL4611611 assay format
CHEMBL514919 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C F N N H 3 C Ki = 18.0 nM 546.7 COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL4217421 OBDepict O N N CH 3 N CH 3 N N H N H O N N CH 3 F F F IC50 = 20.0 nM 536.52 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3cnn(C)c3)nc2N(C)C1=O Homo sapiens CHEMBL4201008 single protein format
CHEMBL437754 OBDepict N O O N HN N IC50 = 20.0 nM 518.66 c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c23)cc1 Homo sapiens CHEMBL903616 single protein format
CHEMBL472392 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C N HN IC50 = 20.0 nM 514.68 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc21 Homo sapiens CHEMBL3429155 single protein format
CHEMBL4212809 OBDepict CH 3 N N H N N N CH 3 N O CH 3 NH O H 3 C F F F IC50 = 20.0 nM 561.57 Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccc(C)c(C(F)(F)F)c4)ccc2C)C3)cn1 Homo sapiens CHEMBL4201008 single protein format
CHEMBL502156 OBDepict H 3 C O CH 3 H 3 C N N N N H N N H CH 3 CH 3 F O N IC50 = 20.0 nM 561.71 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21 Homo sapiens CHEMBL2329235 single protein format
CHEMBL2087871 OBDepict CH 3 N N N H N H H O O N Ki = 20.0 nM 497.64 Cc1ccccc1-c1c(-c2ccc(OCCN3CCCC3)cc2)[nH]c2ncnc(NC[C@@H]3CCCO3)c12 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087668 OBDepict H 3 C N CH 3 O N H N N H N H O Ki = 20.0 nM 447.58 CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2C2=CCCC2)cc1 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL2087881 OBDepict H 3 C O H H NH N N N H O N H 3 C CH 3 Ki = 20.0 nM 471.61 CO[C@@H]1CC[C@H]1CNc1ncnc2[nH]c(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12 Homo sapiens CHEMBL2090703 cell-based format
CHEMBL459044 OBDepict CH 3 O O N N N H N H O H 3 C CH 3 N HN Ki = 20.0 nM 538.65 CCOc1ccccc1Oc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1C(=O)Nc1c(C)cccc1C Homo sapiens CHEMBL1017265 cell-based format
CHEMBL4209082 OBDepict O N N CH 3 N CH 3 N N H N H O N CH 3 IC50 = 21.0 nM 479.54 Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccccc4)ccc2C)C3)cn1 Homo sapiens CHEMBL4201008 single protein format
CHEMBL4215989 OBDepict OH NH N N N CH 3 N O CH 3 N H O F F F IC50 = 21.0 nM 500.48 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(NCCO)nc2N(C)C1=O Homo sapiens CHEMBL4201008 single protein format
CHEMBL4203337 OBDepict H 3 C N N O N N N H CH 3 N H N O CH 3 CH 3 F F F IC50 = 23.0 nM 575.6 CCN1C(=O)N(c2cc(NC(=O)c3ccc(C)c(C(F)(F)F)c3)ccc2C)Cc2cnc(Nc3ccc(C)nc3)nc21 Homo sapiens CHEMBL4201008 single protein format
CHEMBL247070 OBDepict H O N H N N O IC50 = 24.0 nM 371.44 c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 Homo sapiens CHEMBL903634 single protein format
CHEMBL1214141 OBDepict CH 3 N N H N N N CH 3 N O CH 3 NH O F F F IC50 = 25.0 nM 547.54 Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1 Homo sapiens CHEMBL4201008 single protein format
CHEMBL4644425 OBDepict CH 3 N NH N H N N N N H CH 3 O IC50 = 26.0 nM 463.55 CN1Cc2ccc(Nc3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5)cc3)cc2C1 Homo sapiens CHEMBL4611611 assay format
CHEMBL4640243 OBDepict H 3 C O N H N N N N N H 3 C N H H 3 C O F IC50 = 26.0 nM 463.52 COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccc(F)cc1C(=O)N2 Homo sapiens CHEMBL4611611 assay format
CHEMBL521379 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C F Ki = 26.0 nM 448.55 COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccccc3)nc21 Homo sapiens CHEMBL1017265 cell-based format
CHEMBL2325960 OBDepict F N O N H 2 N N H CH 3 OH IC50 = 28.0 nM 416.46 C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)cc3F)c3c(N)nccn32)C1 Homo sapiens CHEMBL2329235 single protein format
CHEMBL4647099 OBDepict CH 3 N N H N H N N N HN CH 3 O IC50 = 28.0 nM 477.57 CN1CCc2ccc(Nc3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5)cc3)cc2C1 Homo sapiens CHEMBL4611611 assay format
CHEMBL3426880 OBDepict CH 3 N O N N H N N N H NH O O F Cl IC50 = 28.4 nM 596.11 CCCC(=O)N1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(F)cccc4Cl)c(NCC4CCCO4)n3)cc2)CC1 Homo sapiens CHEMBL3428296 single protein format
CHEMBL2325959 OBDepict CH 3 O O N N H 2 N N H CH 3 OH IC50 = 29.0 nM 428.49 COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1 Homo sapiens CHEMBL2329235 single protein format
CHEMBL4639490 OBDepict H 3 C O N H N N N H H 3 C HN H H 3 C N N H H 3 C O IC50 = 29.0 nM 459.55 COc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2 Homo sapiens CHEMBL4611611 assay format
CHEMBL2325958 OBDepict F O N N H 2 N N H CH 3 OH IC50 = 30.0 nM 416.46 C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)c(F)c3)c3c(N)nccn32)C1 Homo sapiens CHEMBL2329235 single protein format
CHEMBL3655208 OBDepict CH 3 O O N N H 2 N N N N CH 3 IC50 = 30.0 nM 518.62 COc1cc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1 Homo sapiens CHEMBL3705264 single protein format
CHEMBL521381 OBDepict CH 3 N H 3 C N N N N H N N H CH 3 H 3 C Ki = 30.0 nM 415.55 Cc1cccc(C)c1Nc1nn(CCCN(C)C)c2nc(Nc3ccccc3)ncc12 Homo sapiens CHEMBL1017265 cell-based format