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P06241 | FYN_HUMAN | Tyrosine-protein kinase Fyn (FYN)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "SH2" // SH2,RNAse_Pc_like ]

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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 = -36400.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804381 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -8400.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804381 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -2000.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804381 cell-based format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 0.2 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL912340 single protein format
CHEMBL45177 OBDepict H 3 C N N H H N N N NH 2 O IC50 = 0.3 nM 482.63 CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 Homo sapiens CHEMBL4274923 single protein format
CHEMBL1171837 OBDepict H 3 C N N F F F N H O CH 3 N N N IC50 = 0.36 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4721783 single protein format
CHEMBL285063 OBDepict CH 2 HN O N N N H Br IC50 = 1.0 nM 369.22 C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL364623 OBDepict CH 3 N N H N H 3 C N S N H O H 3 C Cl IC50 = 1.0 nM 373.87 Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1 Homo sapiens CHEMBL829344 single protein format
CHEMBL515414 OBDepict OH N N O F N H 2 N H 3 C IC50 = 1.0 nM 342.37 Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL1017822 assay format
CHEMBL432189 OBDepict CH 3 N N N H N H S N O N H O CH 3 Cl Ki = 1.1 nM 509.04 Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NCC2CCCO2)n1 Homo sapiens CHEMBL682780 single protein format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 1.8 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL1244328 single protein format
CHEMBL3335371 OBDepict CH 3 HN O N O N N H 3 C N H CH 3 H 3 C CH 3 IC50 = 2.0 nM 429.52 CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 Homo sapiens CHEMBL3636906 single protein format
CHEMBL3824089 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N H 3 C CH 3 IC50 = 2.1 nM 510.64 COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3826739 single protein format
CHEMBL312933 OBDepict OH N H N N H S N NH O CH 3 Cl Ki = 2.4 nM 453.96 Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1 Homo sapiens CHEMBL682780 single protein format
CHEMBL1221769 OBDepict CH 2 HN O N N N H IC50 = 3.0 nM 340.39 C=CC(=O)Nc1ccc2ncnc(Nc3ccc4ccccc4c3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL272888 OBDepict CH 3 N N N H N N HN O CH 3 N H O F F F IC50 = 3.0 nM 589.62 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 Homo sapiens CHEMBL951119 single protein format
CHEMBL88009 OBDepict OH HN N N N H CH 3 S N NH O CH 3 Cl IC50 = 4.0 nM 468.97 Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NCCO)n1 Homo sapiens CHEMBL680971 single protein format
CHEMBL1163016 OBDepict OH HN N N N N H O CH 3 CH 3 N H 3 C H 3 C . O IC50 = 5.0 nM 499.6 CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1[O] Homo sapiens CHEMBL1046245 single protein format
CHEMBL3426225 OBDepict H 3 C N N N N NH 2 CH 3 N H O F F F N N CH 3 IC50 = 5.0 nM 576.63 CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21 Homo sapiens CHEMBL3429870 single protein format
CHEMBL470808 OBDepict CH 3 HN O N O N N H 3 C N H CH 3 H 3 C CH 3 IC50 = 5.0 nM 429.52 CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 Homo sapiens CHEMBL3636906 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 = 5.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL919498 cell-based format
CHEMBL1221699 OBDepict CH 2 HN O N N N H IC50 = 5.0 nM 290.33 C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1 Homo sapiens CHEMBL1226206 assay format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 6.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766146 single protein format
CHEMBL3647967 OBDepict CH 2 HN O H H N N N N H 2 N O IC50 = 7.1 nM 454.53 C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3887540 single protein format
CHEMBL4846921 OBDepict H 3 C N N NH N N S N H S O O CH 3 IC50 = 7.7 nM 508.67 CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1 Homo sapiens CHEMBL4839036 single protein format
CHEMBL90002 OBDepict H 3 C NH N N N H S N N H O CH 3 Cl Ki = 8.8 nM 424.92 CNc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 Homo sapiens CHEMBL682780 single protein format
CHEMBL406845 OBDepict Cl N N H 2 N N N H 3 C H 3 C CH 3 IC50 = 10.0 nM 301.78 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21 Homo sapiens CHEMBL4271286 single protein format
CHEMBL3622137 OBDepict CH 3 N N N O NH N N H 3 C S N H 3 C CH 3 IC50 = 10.0 nM 449.58 CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C)c(C)s3)nc21 Homo sapiens CHEMBL3625485 single protein 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 CHEMBL4312060 assay format
CHEMBL3115681 OBDepict N O N N N N H N N CH 3 IC50 = 11.09 nM 429.53 CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1 Homo sapiens CHEMBL3117358 single protein format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 18.0 nM 537.5 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727424 single protein format
CHEMBL1221701 OBDepict CH 2 HN O N N N H Br IC50 = 19.0 nM 369.22 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL436137 OBDepict CH 3 CH 3 CH 3 N N N N H O N IC50 = 23.0 nM 453.59 Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Homo sapiens CHEMBL908986 single protein format
CHEMBL1221700 OBDepict CH 2 HN O N N N H H 3 C CH 3 H 3 C IC50 = 24.0 nM 346.43 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL477817 OBDepict N N NH S CH 3 N H N O IC50 = 25.0 nM 427.53 Cc1c(Nc2c(C#N)cnc3sc(/C=C/C(=O)N4CCCC4)cc23)ccc2[nH]ccc12 Homo sapiens CHEMBL982993 single protein format
CHEMBL306380 OBDepict CH 3 N N NH 2 N N CH 3 CH 3 H 3 C IC50 = 27.0 nM 281.36 Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3826739 single protein format
CHEMBL1778662 OBDepict N NH N CH 3 H 3 C N H N N OH CH 3 CH 3 H H 3 C ClH Ki = 28.0 nM 392.94 Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)n[nH]1.Cl Homo sapiens CHEMBL1781317 single protein format
CHEMBL1221770 OBDepict H 2 C NH O N N N H IC50 = 30.0 nM 340.39 C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL1221768 OBDepict CH 2 HN O N N N H H 3 C CH 3 IC50 = 32.0 nM 332.41 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(C(C)C)cc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL3823861 OBDepict CH 3 N H 3 C N N N N N H 2 N N N H IC50 = 38.0 nM 419.54 CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3826739 single protein format
CHEMBL3632717 OBDepict H N N N O N N CH 3 N H CH 3 CH 3 H 3 C IC50 = 40.0 nM 438.54 Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21 Homo sapiens CHEMBL3636906 single protein format
CHEMBL1097700 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 47.0 nM 375.42 CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C[C@@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL3880856 single protein format
CHEMBL56569 OBDepict H 3 C N H S O O N H O N H O NH 2 IC50 = 50.0 nM 428.51 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL4862806 OBDepict CH 3 N N N H 2 N CH 3 NH O F F F F F F IC50 = 56.0 nM 543.47 Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N Homo sapiens CHEMBL4839489 single protein format
CHEMBL47203 OBDepict H 3 C N N H H N N N NH 2 O IC50 = 59.0 nM 482.63 CN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 Homo sapiens CHEMBL841997 single protein format
CHEMBL52513 OBDepict H 3 C N H S O O N H O N H N H 3 C CH 3 IC50 = 60.0 nM 442.59 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL3578214 OBDepict Cl N N NH 2 N N Cl Ki = 70.0 nM 384.27 Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CC(Cl)c1ccccc1 Homo sapiens CHEMBL3580016 single protein format
CHEMBL131577 OBDepict O N H S N N H CH 3 Cl O IC50 = 71.0 nM 335.82 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1 Homo sapiens CHEMBL680967 single protein format
CHEMBL3893914 OBDepict N CH 3 N H N N H O N N H 3 C H N CH 3 Ki = 80.0 nM 363.43 Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1 Homo sapiens CHEMBL3871918 single protein format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 87.0 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727424 single protein format
CHEMBL1221822 OBDepict CH 2 NH O N N H N IC50 = 88.0 nM 318.38 C=CC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL3577124 OBDepict CH 3 N H N N N H 3 C CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 91.0 nM 424.52 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 Homo sapiens CHEMBL3578502 cell-based format
CHEMBL3578215 OBDepict CH 3 N N H 2 N N N Cl Ki = 95.0 nM 363.85 Cc1ccc(-c2nn(CC(Cl)c3ccccc3)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3580016 single protein format
CHEMBL1873475 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 95.6 nM 440.51 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL3887540 single protein format
CHEMBL56109 OBDepict OH N N N H O N H S N H O O H 3 C IC50 = 100.0 nM 527.69 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CCO)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL515416 OBDepict OH N N O Cl N H 2 N H 3 C IC50 = 100.0 nM 358.83 Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL1017822 assay format
CHEMBL67237 OBDepict O N H NH H 3 C H 3 C CH 3 S N N H O CH 3 Cl Ki = 100.0 nM 416.93 Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1 Homo sapiens CHEMBL682780 single protein format
CHEMBL4077588 OBDepict F N HN O N H 2 N N N H N F F F O IC50 = 105.0 nM 583.59 Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057962 single protein format
CHEMBL1221767 OBDepict H 2 C NH O N N N H IC50 = 107.0 nM 366.42 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL1980297 OBDepict OH N N N S H 2 N N H NH O F IC50 = 110.0 nM 488.55 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Homo sapiens CHEMBL2024904 single protein format
CHEMBL4452230 OBDepict OH N N NH 2 N N Cl Ki = 120.0 nM 379.85 Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2CC(Cl)c1ccccc1 Homo sapiens CHEMBL4362317 cell-based format
CHEMBL47940 OBDepict H 2 N N N N O IC50 = 126.0 nM 370.46 Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1 Homo sapiens CHEMBL682776 single protein format
CHEMBL3808884 OBDepict CH 3 O O N H N N H CH 3 N H O N F F F N H 3 C IC50 = 131.0 nM 562.55 COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 Homo sapiens CHEMBL3810821 assay format
CHEMBL1080994 OBDepict N N N H H 3 C N H S N O O N CH 3 IC50 = 140.0 nM 512.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1113996 single protein format
CHEMBL1221415 OBDepict CH 2 N H O N N NH IC50 = 150.0 nM 354.41 C=CC(=O)Nc1ccc2ncnc(NCc3cccc4ccccc34)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL253969 OBDepict O N H N H S N O H 2 N O N F F Br IC50 = 161.0 nM 532.41 NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1 Homo sapiens CHEMBL3889045 single protein format
CHEMBL605003 OBDepict O HN N H S N O O H 3 C CH 3 IC50 = 170.0 nM 371.46 CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 Homo sapiens CHEMBL937645 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 187.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261416 single protein format
CHEMBL4076024 OBDepict CH 3 O N O H N N N H 2 N F N H O N F F F IC50 = 188.0 nM 571.54 COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057962 single protein format
CHEMBL4476482 OBDepict CH 3 O N N HN O O IC50 = 191.0 nM 397.43 COc1ccccc1/C=C/c1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 Homo sapiens CHEMBL4412235 single protein format
CHEMBL4103954 OBDepict O N H CH 3 H N N N H 2 N F HN O N F F F IC50 = 198.0 nM 581.57 C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 Homo sapiens CHEMBL4717043 single protein format
CHEMBL301271 OBDepict H 3 C S O O N H O N H O NH 2 IC50 = 200.0 nM 427.53 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL55496 OBDepict H 3 C NH S O O HN O N H N OH IC50 = 200.0 nM 498.65 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCC(O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL4069365 OBDepict O N H O H 3 C CH 3 N H N N NH O F F F IC50 = 201.0 nM 421.38 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc21 Homo sapiens CHEMBL4007708 single protein format
CHEMBL4108687 OBDepict O O N H 3 C CH 3 H H N N N H 2 N N H O N F F F IC50 = 212.0 nM 565.56 CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 Homo sapiens CHEMBL4727424 single protein format
CHEMBL3632719 OBDepict H N N N F F F O N N H 3 C N H H 3 C CH 3 H 3 C IC50 = 220.0 nM 506.53 Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 Homo sapiens CHEMBL3636906 single protein format
CHEMBL4525187 OBDepict H 2 N N N N H N O H O IC50 = 232.0 nM 441.54 Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1 Homo sapiens CHEMBL4347063 single protein format
CHEMBL4060757 OBDepict F N NH O N NH 2 N N H O N F F F O IC50 = 248.0 nM 585.56 Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057962 single protein format
CHEMBL334255 OBDepict CH 3 + N _ Br IC50 = 298.0 nM 384.45 CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-] Homo sapiens CHEMBL1909204 cell-based format
CHEMBL59042 OBDepict H 3 C S O O N H O N H N H 3 C CH 3 IC50 = 300.0 nM 441.6 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = 300.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804381 cell-based format
CHEMBL4467948 OBDepict Cl Cl N H O CH 3 H 2 N N N N CH 3 IC50 = 307.0 nM 476.37 Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N Homo sapiens CHEMBL4839489 single protein format
CHEMBL3823212 OBDepict CH 3 N CH 3 N N N N N H 2 N H 3 C IC50 = 311.0 nM 379.51 Cc1ccc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL3826739 single protein format
CHEMBL4799627 OBDepict O N CH 3 O H N N N NH 2 F N H O N F F F IC50 = 322.0 nM 597.57 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717043 single protein format
CHEMBL1952210 OBDepict H 3 C O N O N N N H N H H OH IC50 = 322.0 nM 431.5 COc1ccc(N2Cc3cnc(Nc4ccccc4)nc3N([C@@H]3CC[C@@H](O)C3)C2=O)cc1 Homo sapiens CHEMBL1952841 single protein format
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 328.0 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2210916 single protein format
CHEMBL3578213 OBDepict F N N NH 2 N N Cl Ki = 360.0 nM 367.82 Nc1ncnc2c1c(-c1ccc(F)cc1)nn2CC(Cl)c1ccccc1 Homo sapiens CHEMBL3580016 single protein format
CHEMBL120077 OBDepict CH 3 O O H 3 C N N H N H F IC50 = 378.0 nM 325.34 COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2 Homo sapiens CHEMBL861594 single protein format
CHEMBL300853 OBDepict H 3 C S O O HN O N H N N O OH IC50 = 400.0 nM 540.69 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CC(=O)O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL292930 OBDepict H 3 C NH S O O HN O N H N N O OH IC50 = 400.0 nM 541.67 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CC(=O)O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL57143 OBDepict OH N N N H O N H S O O H 3 C IC50 = 400.0 nM 526.7 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCN(CCO)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL301143 OBDepict H 3 C N H S O O N H O N H N O IC50 = 400.0 nM 456.57 CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CN1CCOCC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format
CHEMBL4095253 OBDepict CH 2 S N O O H N N N H 2 N O O IC50 = 429.8 nM 427.49 C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 Homo sapiens CHEMBL4058137 cell-based format
CHEMBL606964 OBDepict CH 3 O N O N N N H N H H HO F IC50 = 466.0 nM 449.49 COc1ccc(N2Cc3cnc(Nc4ccc(F)cc4)nc3N([C@@H]3CC[C@@H](O)C3)C2=O)cc1 Homo sapiens CHEMBL861200 single protein format
CHEMBL291759 OBDepict H 3 C O O N N N H O N H S N H O O H 3 C IC50 = 500.0 nM 569.73 CCOC(=O)CN1CCN(CCCc2c(/C=C3C(=O)Nc4ccc(S(=O)(=O)NC)cc43)[nH]c3c2CCCC3)CC1 Homo sapiens CHEMBL679412 single protein format
CHEMBL21156 OBDepict F N O N N H H CH 3 CH 3 CH 3 IC50 = 500.0 nM 309.34 CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1 Homo sapiens CHEMBL680960 single protein format
CHEMBL1221823 OBDepict CH 3 HN O N N N H H 3 C CH 3 H 3 C IC50 = 540.0 nM 348.45 CCC(=O)Nc1ccc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1 Homo sapiens CHEMBL1226207 assay format
CHEMBL4062498 OBDepict CH 3 O N O O H N N N H 2 N F N H O N F F F IC50 = 571.0 nM 573.51 COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057962 single protein format
CHEMBL1354522 OBDepict F N H Cl N N H N O IC50 = 600.0 nM 292.7 Fc1cccc(Cl)c1CNc1nc(-c2ccco2)n[nH]1 Homo sapiens CHEMBL4020192 assay format
CHEMBL298566 OBDepict H 3 C S O O HN O N H N OH IC50 = 600.0 nM 497.66 CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCC(O)CC1)CCCC3)C(=O)N2 Homo sapiens CHEMBL679412 single protein format