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P49327 | FAS_HUMAN | Fatty acid synthase (FASN)

3D structures mapped by conservation among orthologs

[ Domain: "alpha/beta-Hydrolases" // Hydrolase_4_1 ]

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[ Domain: "alpha/beta-Hydrolases" // UNK_F_TYPE ]

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[ Domain: "Thiolase-like" // ketoacyl-synt ]

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[ Domain: "Thiolase-like" // Ketoacyl-synt_C ]

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[ Domain: "Acyl-carrier protein (ACP)" // PP-binding "alpha/beta-Hydrolases" // Hydrolase_4_1 "alpha/beta-Hydrolases" // UNK_F_TYPE "Thiolase-like" // ketoacyl-synt "Thiolase-like" // Ketoacyl-synt_C ]

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[ Domain: "NAD(P)-binding Rossmann-fold domains" // adh_short_C2_1 ]

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[ Domain: "NAD(P)-binding Rossmann-fold domains" // KOG1202_1st ]

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[ Domain: "NAD(P)-binding Rossmann-fold domains" // ADH_zinc_N ]

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[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // Methyltransf_11_3 ]

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[ Domain: "FabD/lysophospholipase-like" // Acyl_transf_1_1st ]

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[ Domain: "Alcohol dehydrogenase-like, N-terminal domain" // KOG1202_2nd ]

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[ Domain: "Probable ACP-binding domain of malonyl-CoA ACP transacylase" // Acyl_transf_1_2nd ]

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[ Domain: "KS-MAT linker domain in fatty acid synthase" // KAsynt_C_assoc ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3623457 OBDepict O N H N N N H O F N IC50 = 3.0 nM 457.51 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4ccncc4c3)cc2F)C1 Homo sapiens CHEMBL3625457 single protein format
CHEMBL3646811 OBDepict O N H N N N H O F N IC50 = 3.0 nM 457.51 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cnccc4c3)cc2F)C1 Homo sapiens CHEMBL3706007 single protein format
CHEMBL3962197 OBDepict N N O H 3 C N Cl N H H 3 C IC50 = 5.0 nM 418.93 Cc1nc(Cl)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3646807 OBDepict O N H N N N H O CH 3 N H IC50 = 5.0 nM 441.54 Cc1cc(-c2ccc3cc[nH]c3c2)ccc1-n1c(C[C@@H]2CCN(C(=O)C3CC3)C2)n[nH]c1=O Homo sapiens CHEMBL3706007 single protein format
CHEMBL3623460 OBDepict O N O N S O O N IC50 = 6.0 nM 477.59 O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4cccc5cnccc45)cc3)CC2)CN1C1CC1 Homo sapiens CHEMBL3625457 single protein format
CHEMBL3915660 OBDepict N F N O CH 3 N Cl N H CH 3 IC50 = 6.0 nM 436.92 Cc1nc(Cl)c(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3646804 OBDepict O N H N N N H O O IC50 = 6.0 nM 428.49 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4ccoc4c3)cc2)C1 Homo sapiens CHEMBL3706007 single protein format
CHEMBL3975955 OBDepict N N O CH 3 N Cl N H CH 3 IC50 = 6.0 nM 390.87 Cc1nc(Cl)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL2147033 OBDepict O N O N S O O N IC50 = 6.0 nM 477.59 O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cnccc5c4)cc3)CC2)CN1C1CC1 Homo sapiens CHEMBL2150656 single protein format
CHEMBL3949918 OBDepict N N O CH 3 N Cl N H IC50 = 7.0 nM 416.91 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3968803 OBDepict N N O CH 3 N Cl N H IC50 = 7.0 nM 444.97 Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(C2CC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3623458 OBDepict O N H N N O N N CH 3 N H IC50 = 7.9 nM 492.58 Cn1ncc2c(=O)n(C[C@@H]3CCN(C(=O)C4CC4)C3)c(-c3ccc(-c4ccc5[nH]ccc5c4)cc3)nc21 Homo sapiens CHEMBL3625457 single protein format
CHEMBL3979428 OBDepict H 3 C O N O N N H CH 3 H 3 C N O N IC50 = 8.0 nM 469.55 COC(=O)N1CC(c2nc(C)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3922048 OBDepict HO N N H Cl H 3 C N O N IC50 = 9.0 nM 420.9 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCO)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3895704 OBDepict N N O CH 3 N Cl N H O IC50 = 9.0 nM 460.97 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCOCC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3927497 OBDepict H 3 C O N N H Cl CH 3 N O N IC50 = 9.0 nM 448.95 COCc1nc(Cl)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3975941 OBDepict N N O CH 3 N Cl N H H 3 C CH 3 IC50 = 9.0 nM 418.93 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C(C)C)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3940149 OBDepict N F N O CH 3 N Cl N H IC50 = 9.0 nM 462.96 Cc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(C2CC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3945625 OBDepict N N O CH 3 N Cl N H CH 3 CH 3 IC50 = 9.0 nM 446.98 Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(C(C)C)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3960666 OBDepict CH 3 O N O N N H CH 3 H 3 C N O N IC50 = 9.0 nM 497.6 COC(=O)N1CCC(c2nc(C)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)CC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3936614 OBDepict CH 3 O H H N N H F F F H 3 C N O N IC50 = 9.0 nM 522.57 CO[C@H]1CC[C@H](c2nc(C(F)(F)F)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)CC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3905299 OBDepict N N O CH 3 N H 3 C N H CH 3 IC50 = 10.0 nM 370.46 Cc1nc(C)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3623461 OBDepict N N N S N O O O N O IC50 = 10.0 nM 509.63 N#Cc1ccc2cc(N3CCN(S(=O)(=O)N4CCC5(CC4)CN(C4CC4)C(=O)CO5)CC3)ccc2c1 Homo sapiens CHEMBL3625457 single protein format
CHEMBL3906251 OBDepict N N N H CH 3 N O N IC50 = 10.0 nM 407.48 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1C#N Homo sapiens CHEMBL3888977 cell-based format
CHEMBL2147032 OBDepict O N O N S O O N IC50 = 10.0 nM 477.59 O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1 Homo sapiens CHEMBL2150656 single protein format
CHEMBL3646801 OBDepict O N H N N N H O O IC50 = 10.0 nM 428.49 O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1 Homo sapiens CHEMBL3706007 single protein format
CHEMBL3666615 OBDepict H 3 C O N O N N H N O N IC50 = 10.0 nM 523.64 COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)ccc3C3CCC3)[nH]c2C1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3891794 OBDepict N N O CH 3 N H 3 C N H OH IC50 = 10.0 nM 454.57 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCC(O)CC2)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3935073 OBDepict HO N N H CH 3 N O N IC50 = 10.0 nM 412.49 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1CO Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3666601 OBDepict N F N O H 3 C N N H O IC50 = 10.0 nM 498.6 Cc1cc(C2CCC2)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3666606 OBDepict H 3 C O N O N N H CH 3 N O F N IC50 = 10.0 nM 555.65 COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(F)(c5ccc(C#N)cc5)CC4)c(C)cc3C3CCC3)[nH]c2C1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL4450081 OBDepict O N OH N O N IC50 = 10.0 nM 401.47 O=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1 Homo sapiens CHEMBL4402021 single protein format
CHEMBL3940947 OBDepict N N N H CH 3 H 3 C N O N IC50 = 11.0 nM 409.49 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCC#N)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3902171 OBDepict N N O H 3 C CH 3 N Cl N H CH 3 IC50 = 11.0 nM 404.9 Cc1nc(Cl)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3927676 OBDepict N N O CH 3 N H 3 C N H O IC50 = 11.0 nM 440.55 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCOCC2)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3938270 OBDepict CH 3 O N N H F F F H 3 C N O N IC50 = 11.0 nM 468.48 COCCc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3894044 OBDepict HO N N H F F F H 3 C N O N IC50 = 11.0 nM 454.45 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCO)nc1C(F)(F)F Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3908611 OBDepict N N N H H 3 C O N O N IC50 = 11.0 nM 451.53 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCOCC2)nc1C#N Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3977044 OBDepict N N O CH 3 N H 3 C N H CH 3 O IC50 = 11.0 nM 426.52 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(C)COC2)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3936277 OBDepict N N O CH 3 N H 3 C N H O IC50 = 11.0 nM 426.52 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCOC2)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3986980 OBDepict HO N N H CH 3 H 3 C N O N IC50 = 12.0 nM 400.48 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCO)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3927639 OBDepict N N O N N CH 3 N H CH 3 IC50 = 12.0 nM 425.54 Cc1nc(C)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2N2CCCC2)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3971866 OBDepict N F N O CH 3 N H N CH 3 F F F IC50 = 12.0 nM 442.42 Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(F)(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL4440024 OBDepict O N OH N O N CH 3 IC50 = 12.0 nM 403.48 Cn1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)ccc21 Homo sapiens CHEMBL4402021 single protein format
CHEMBL3936004 OBDepict N F N O CH 3 N Cl N H IC50 = 12.0 nM 434.9 Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3973206 OBDepict N N O CH 3 H 3 C N Cl N H H 3 C IC50 = 12.0 nM 432.96 Cc1nc(Cl)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL2322360 OBDepict N N O CH 3 H 3 C N N H N N IC50 = 12.0 nM 504.64 Cc1cc(C)c(-c2nc3cc(N4CCCC4)ncc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 Homo sapiens CHEMBL2328950 cell-based format
CHEMBL3933162 OBDepict CH 3 O N N H F F F H 3 C N O N IC50 = 12.0 nM 454.45 COCc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3916409 OBDepict N F N O H 3 C CH 3 N H N CH 3 F F F IC50 = 12.0 nM 456.44 Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(F)(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3901281 OBDepict CH 3 O N N H Cl H 3 C N O N IC50 = 13.0 nM 434.93 COCCc1nc(Cl)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3623459 OBDepict O N H N N N N N H IC50 = 13.0 nM 412.5 O=C(C1CC1)N1CC[C@@H](Cn2cnnc2-c2ccc(-c3ccc4[nH]ncc4c3)cc2)C1 Homo sapiens CHEMBL3625457 single protein format
CHEMBL3960022 OBDepict N N O CH 3 N H 3 C N H OH O IC50 = 13.0 nM 456.55 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(O)CCOCC2)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3646805 OBDepict O N H N N N H O N N H 3 C IC50 = 13.0 nM 442.52 Cn1cnc2cc(-c3ccc(-n4c(C[C@@H]5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)ccc21 Homo sapiens CHEMBL3706007 single protein format
CHEMBL3908686 OBDepict CH 3 O H H N N H F F F H 3 C N O N IC50 = 13.0 nM 522.57 CO[C@H]1CC[C@@H](c2nc(C(F)(F)F)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)CC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL4553437 OBDepict O N OH N O N IC50 = 13.0 nM 401.47 O=C(c1ccc(-c2ccc3cnccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1 Homo sapiens CHEMBL4402021 single protein format
CHEMBL3899694 OBDepict N N N H H 3 C O N O N IC50 = 14.0 nM 437.5 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CCOC2)nc1C#N Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3893529 OBDepict N N O H 3 C CH 3 N H N CH 3 F F F IC50 = 14.0 nM 438.45 Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3949269 OBDepict H 3 C O N O H 3 C N N H Cl H 3 C N O N IC50 = 14.0 nM 532.04 COC(=O)N1CCC(C)(c2nc(Cl)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)CC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3923215 OBDepict CH 3 O N N H Cl H 3 C N O N IC50 = 14.0 nM 420.9 COCc1nc(Cl)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3661709 OBDepict N F N O H 3 C CH 3 N N H N N IC50 = 15.0 nM 522.63 Cc1cc(C)c(-c2nc3cc(N4CCCC4)ncc3[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3965791 OBDepict H 3 C O O N N H CH 3 H 3 C N O N IC50 = 15.0 nM 470.57 COC1(c2nc(C)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)CCCOC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3983146 OBDepict N N O CH 3 N H N CH 3 F F F IC50 = 15.0 nM 424.43 Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL2165265 OBDepict O HN N H S S N H O O N H O O N N N N CH 3 CH 3 IC50 = 15.8 nM 554.61 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)n1 Homo sapiens CHEMBL2169021 single protein format
CHEMBL3933878 OBDepict N F N O CH 3 N Cl N H CH 3 O IC50 = 16.0 nM 492.98 Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(C)CCOCC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL4529391 OBDepict O N HO N O N H IC50 = 16.0 nM 389.46 O=C(c1ccc(-c2ccc3[nH]ccc3c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1 Homo sapiens CHEMBL4402021 single protein format
CHEMBL3962560 OBDepict HO N N CH 3 H H 3 C N O N IC50 = 16.0 nM 386.46 Cc1nc(CO)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3971732 OBDepict HO N N H Cl H 3 C N O F N IC50 = 16.0 nM 424.86 Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CO)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3646808 OBDepict O N N N N H O N H IC50 = 16.0 nM 413.48 O=C(C1CC1)N1CC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 Homo sapiens CHEMBL3706007 single protein format
CHEMBL3978403 OBDepict N N N H CH 3 N O N IC50 = 16.0 nM 435.53 Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(C2CC2)nc1C#N Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3932624 OBDepict HO N N H Cl H 3 C CH 3 N O F N IC50 = 17.0 nM 438.89 Cc1cc(C)c(-c2[nH]c(CO)nc2Cl)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3917458 OBDepict N N O CH 3 N N H N CH 3 IC50 = 17.0 nM 381.44 Cc1nc(C#N)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3919963 OBDepict N N O H 3 C CH 3 N H 3 C N H IC50 = 17.0 nM 410.52 Cc1cc(C)c(-c2[nH]c(C3CC3)nc2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3919638 OBDepict N N N H Cl H 3 C N O N IC50 = 18.0 nM 429.91 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCC#N)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3893117 OBDepict N N O H 3 C N N H N H 3 C IC50 = 18.0 nM 409.49 Cc1nc(C#N)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3914043 OBDepict N N O CH 3 N H N F F F CH 3 O IC50 = 18.0 nM 480.49 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(C)COC2)nc1C(F)(F)F Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3961371 OBDepict N N O CH 3 N Cl N H CH 3 O IC50 = 18.0 nM 474.99 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2(C)CCOCC2)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3971978 OBDepict N N O H 3 C CH 3 N H 3 C N H CH 3 IC50 = 18.0 nM 384.48 Cc1nc(C)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3985588 OBDepict N N O N N H 3 C N H F F F IC50 = 18.0 nM 465.48 Cc1nc(C(F)(F)F)[nH]c1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)ccc1N1CCC1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3933609 OBDepict N N N H H 3 C O CH 3 N O N IC50 = 18.0 nM 465.56 Cc1cc(C)c(-c2[nH]c(C3CCOCC3)nc2C#N)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3920956 OBDepict HO N N H Cl H 3 C N O F N IC50 = 18.0 nM 438.89 Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCO)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3907462 OBDepict N N O CH 3 N H 3 C N H H 3 C CH 3 IC50 = 19.0 nM 398.51 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C(C)C)nc1C Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3898437 OBDepict N N O H 3 C CH 3 N H 3 C N H O IC50 = 19.0 nM 454.57 Cc1cc(C)c(-c2[nH]c(C3CCOCC3)nc2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3954321 OBDepict N N O CH 3 N Cl H N IC50 = 19.0 nM 376.85 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]ncc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3924969 OBDepict N N O H 3 C CH 3 N N H CH 3 F F F IC50 = 19.0 nM 452.48 Cc1nc(CC(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3972640 OBDepict HO N N CH 3 H H 3 C CH 3 N O N IC50 = 19.0 nM 400.48 Cc1nc(CO)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL213634 OBDepict H 3 C O OH N OH Cl N IC50 = 19.0 nM 402.84 COc1ccccc1-c1cccc(-c2c(O)nc3cc(Cl)c(C#N)cc3c2O)c1 Homo sapiens CHEMBL869274 single protein format
CHEMBL3966134 OBDepict HO N N H Cl H 3 C CH 3 N O N IC50 = 19.0 nM 420.9 Cc1cc(C)c(-c2[nH]c(CO)nc2Cl)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3666605 OBDepict H 3 C O N O N N H CH 3 N O N IC50 = 20.0 nM 537.66 COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)c(C)cc3C3CCC3)[nH]c2C1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3661847 OBDepict H 3 C O N N H CH 3 N O F N IC50 = 20.0 nM 486.59 COCc1cnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3661845 OBDepict H 3 C N N H CH 3 N O N IC50 = 20.0 nM 452.6 CCc1cnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3941358 OBDepict N N O CH 3 N H 3 C N H N O CH 3 IC50 = 20.0 nM 453.55 CC(=O)N1CC(c2nc(C)c(-c3cc(C(=O)N4CC(c5ccc(C#N)cc5)C4)ccc3C)[nH]2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3932119 OBDepict N N O CH 3 N H N Cl H 3 C IC50 = 20.0 nM 390.87 Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(C)c1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL4126247 OBDepict O N H N N O N IC50 = 20.0 nM 464.57 O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(-c3ccc4cnccc4c3)cc2)C1 Homo sapiens CHEMBL4123591 single protein format
CHEMBL4127623 OBDepict O N H N N O N IC50 = 20.0 nM 464.57 O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(-c3ccc4cccnc4c3)cc2)C1 Homo sapiens CHEMBL4123591 single protein format
CHEMBL3898969 OBDepict N N N H CH 3 H 3 C CH 3 N O F N IC50 = 20.0 nM 441.51 Cc1cc(C)c(-c2[nH]c(CCC#N)nc2C)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3917301 OBDepict N N O H 3 C N N H N CH 3 IC50 = 20.0 nM 479.63 Cc1cc(C2CCC2)c(-c2nc3c([nH]2)CCN(C)CC3)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3661757 OBDepict OH N N N H CH 3 N O N IC50 = 20.0 nM 455.56 Cc1cc(C2CCC2)c(-c2nnc(CO)[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 Homo sapiens CHEMBL3705868 cell-based format
CHEMBL3985124 OBDepict N N O H 3 C CH 3 N H 3 C N H H 3 C O IC50 = 20.0 nM 440.55 Cc1cc(C)c(-c2[nH]c(C3(C)COC3)nc2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3947610 OBDepict N N N H Cl CH 3 N O N IC50 = 20.0 nM 457.97 Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(CCC#N)nc1Cl Homo sapiens CHEMBL3888977 cell-based format
CHEMBL3666613 OBDepict N N O N N H N CH 3 IC50 = 20.0 nM 479.63 CN1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)ccc3C3CCC3)[nH]c2C1 Homo sapiens CHEMBL3705868 cell-based format