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O75907 | DGAT1_HUMAN | Diacylglycerol O-acyltransferase 1 (DGAT1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3901785 OBDepict O N H N H H H O OH O HO O HO N N N N H + N O _ O + N O _ O Ki = 0.078 nM 566.48 O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)C(=O)O)C(=O)O Homo sapiens CHEMBL3888266 single protein format
CHEMBL2036730 OBDepict OH O H H N H O N O N N H F F IC50 = 0.6 nM 456.45 O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1 Homo sapiens CHEMBL2038283 cell-based format
CHEMBL3969207 OBDepict OH O CH 3 H 3 C O N CH 3 N N H F F F IC50 = 0.63 nM 459.47 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)cc1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4585408 OBDepict Cl N N H N N O CH 3 CH 3 O OH IC50 = 0.7 nM 422.87 CC(C)(COc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cn2)cn1)C(=O)O Homo sapiens CHEMBL4392490 single protein format
CHEMBL3897166 OBDepict O NH N H H H O OH O HO O OH N N N O O N H Ki = 0.73 nM 564.6 O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2)nn1)C(=O)O)C(=O)O Homo sapiens CHEMBL3888266 single protein format
CHEMBL3913687 OBDepict HO O O N CH 3 F N N H F F F IC50 = 0.75 nM 449.4 Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3922835 OBDepict CH 3 O OH O CH 3 N N N N H F F F IC50 = 0.76 nM 434.42 CCC(CC)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nc2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3929252 OBDepict OH O CH 3 H 3 C O N CH 3 H 3 C N N H F F F IC50 = 0.78 nM 433.43 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(C)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3921484 OBDepict HO O O N CH 3 Cl N N H F F F IC50 = 0.82 nM 465.86 Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3914327 OBDepict F N O CH 3 H 3 C O OH N N H F F F IC50 = 0.87 nM 423.37 CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cc1F)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3907562 OBDepict OH O CH 3 H 3 C O N CH 3 F N N H F F F IC50 = 0.96 nM 437.39 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3976145 OBDepict CH 3 O N H O O N N N N H H O HO NH O H O OH O HO Ki = 0.97 nM 594.62 COc1ccc(NCCOCCOCc2cn(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nn2)cc1 Homo sapiens CHEMBL3888266 single protein format
CHEMBL3987192 OBDepict OH O N N N H O F F F IC50 < 1.0 nM 507.51 O=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cc(F)c(F)c(F)c5)cn4c3)cc2)CC1 Homo sapiens CHEMBL3888061 tissue-based format
CHEMBL3931131 OBDepict OH O N N N H O CH 3 IC50 < 1.0 nM 467.57 Cc1ccccc1NC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1 Homo sapiens CHEMBL3888061 tissue-based format
CHEMBL3910570 OBDepict H H O HO S N N N H O CH 3 CH 3 CH 3 IC50 < 1.0 nM 529.71 CC(C)(C)c1ccc(CNC(=O)c2cn3cc(-c4ccc([C@H]5CC[C@H](CC(=O)O)CC5)cc4)sc3n2)cc1 Homo sapiens CHEMBL3888061 tissue-based format
CHEMBL3898541 OBDepict OH O CH 3 H 3 C O N CH 3 N Cl N N H F F F F F IC50 = 1.0 nM 504.84 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3969728 OBDepict OH O CH 3 H 3 C O N CH 3 Cl N N H F F F IC50 = 1.2 nM 453.85 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3966083 OBDepict OH O CH 3 H 3 C O N CH 3 N N H IC50 = 1.2 nM 405.5 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)cc1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4453443 OBDepict HO O H H O N N N N H Cl IC50 = 1.3 nM 462.94 O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL2408620 OBDepict F F N N H N N O H H O HO IC50 = 1.3 nM 450.45 O=C(O)[C@H]1CC[C@H](Oc2ccc(-c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3919047 OBDepict CH 3 N O N Cl H 3 C CH 3 O HO N N H F F F IC50 = 1.3 nM 454.84 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4467163 OBDepict Cl N N H N N O O HO IC50 = 1.3 nM 442.86 O=C(O)c1ccc(Oc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)cc1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL1234976 OBDepict CH 3 O O O O O N N N N H H O HO N H O H O HO O OH Ki = 1.34 nM 591.62 COCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nn1 Homo sapiens CHEMBL3888266 single protein format
CHEMBL3904903 OBDepict CH 3 O N N N N H H O HO N H O H O HO O OH Ki = 1.35 nM 415.4 COCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nn1 Homo sapiens CHEMBL3888266 single protein format
CHEMBL2408472 OBDepict F F N N H N N O H H O OH IC50 = 1.4 nM 450.45 O=C(O)[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3929034 OBDepict CH 3 N O N F H 3 C CH 3 O HO N N H F F F IC50 = 1.4 nM 438.38 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3911336 OBDepict OH O CH 3 H 3 C O N CH 3 F N N H F F F IC50 = 1.5 nM 477.46 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3951565 OBDepict F N N H N F F F O CH 3 H 3 C O OH IC50 = 1.5 nM 423.37 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3917489 OBDepict CH 3 O OH O CH 3 N CH 3 F N N H F F F IC50 = 1.5 nM 465.45 CCC(CC)(COc1cc(C)c(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3933893 OBDepict CH 3 N O N Cl O HO N N H F F F IC50 = 1.6 nM 466.85 Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4452940 OBDepict OH O H H O N N N N H F F F IC50 = 1.6 nM 496.49 O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3957661 OBDepict OH O O N CH 3 F N N H F F F IC50 = 1.6 nM 435.38 Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3981667 OBDepict OH O CH 3 H 3 C O N CH 3 N N N N H F F F F F IC50 = 1.7 nM 471.39 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)cn1 Homo sapiens CHEMBL3888275 assay format
CHEMBL2408630 OBDepict H N N N F F F N O H H O OH IC50 = 1.7 nM 482.46 O=C(O)[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3921131 OBDepict CH 3 O OH O CH 3 N CH 3 N F N N H F F F IC50 = 1.7 nM 466.44 CCC(CC)(COc1cc(C)c(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4531443 OBDepict OH O H H N N H Cl IC50 = 1.7 nM 444.96 O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)cc2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3982315 OBDepict CH 3 N O N N H 3 C CH 3 O HO N N H F F F IC50 = 1.7 nM 421.38 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(C(F)(F)F)c[nH]2)cn1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3962002 OBDepict CH 3 N O N N H 3 C CH 3 O HO N N H F F F IC50 = 1.7 nM 421.38 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)nc1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4543944 OBDepict HO O H H O N N N N H F F IC50 = 1.7 nM 464.47 O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(F)c(F)cc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL4460750 OBDepict Cl N N H N N O O OH IC50 = 1.7 nM 434.88 O=C(O)C1(COc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CCC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3901785 OBDepict O N H N H H H O OH O HO O HO N N N N H + N O _ O + N O _ O IC50 = 1.76 nM 566.48 O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)C(=O)O)C(=O)O Homo sapiens CHEMBL3888266 single protein format
CHEMBL3984478 OBDepict HO O CH 3 H 3 C O N H 3 C F N N H F F F IC50 = 1.8 nM 491.49 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CCC3)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3937856 OBDepict H 3 C CH 3 N N H Cl N CH 3 O H 3 C H 3 C O HO IC50 = 1.8 nM 441.96 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3975698 OBDepict CH 3 O O O N N N N H H O HO N H O H O HO O OH Ki = 1.81 nM 503.51 COCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nn1 Homo sapiens CHEMBL3888266 single protein format
CHEMBL3938083 OBDepict CH 3 N O N F O HO N N H F F F IC50 = 1.9 nM 436.37 Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL2408633 OBDepict OH O H H O N N N N H Cl IC50 = 2.0 nM 448.91 O=C(O)[C@H]1CC[C@H](Oc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3931399 OBDepict OH O CH 3 H 3 C O N N N H F F F IC50 = 2.0 nM 419.4 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)CC(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL2408470 OBDepict OH O H H O N N N N H F IC50 = 2.0 nM 432.46 O=C(O)[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL4572398 OBDepict OH O H H O N N N N H F F F IC50 = 2.0 nM 502.54 O=C(O)C[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3893712 OBDepict F N O CH 3 H 3 C O OH F N N H F F F IC50 = 2.0 nM 441.36 CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cc1F)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4163300 OBDepict CH 3 O O OH N H NH O Cl IC50 = 2.0 nM 476.96 CCC1(CC(=O)O)CCc2cc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ccc2C1=O Homo sapiens CHEMBL4144917 assay format
CHEMBL4174767 OBDepict CH 3 O O OH N H NH O Cl IC50 = 2.0 nM 476.96 CC[C@@]1(CC(=O)O)CCc2cc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ccc2C1=O Homo sapiens CHEMBL4144917 assay format
CHEMBL3981264 OBDepict F O N CH 3 H 3 C O OH N N H F F F IC50 = 2.0 nM 423.37 CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)cn2)cc1F)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4591140 OBDepict OH O H H H H O N N N N H F F F IC50 = 2.0 nM 486.49 O=C(O)[C@@H]1[C@H]2C[C@@H](OC3CCN(c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cn4)CC3)C[C@H]21 Homo sapiens CHEMBL4321462 single protein format
CHEMBL3893124 OBDepict CH 3 N O N F O HO N N H F F F IC50 = 2.0 nM 450.39 Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3944469 OBDepict CH 3 O OH O CH 3 N CH 3 Cl N N H F F F IC50 = 2.1 nM 481.9 CCC(CC)(COc1cc(C)c(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(Cl)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3951927 OBDepict OH O CH 3 H 3 C O N CH 3 N N H F F F IC50 = 2.1 nM 419.4 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1 Homo sapiens CHEMBL3888275 assay format
CHEMBL2408632 OBDepict OH O H H O N N N N H Cl IC50 = 2.1 nM 448.91 O=C(O)[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3918770 OBDepict OH O CH 3 H 3 C O N CH 3 F N N H F F F F F IC50 = 2.1 nM 487.4 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4458847 OBDepict HO O H H O N N N N H F F IC50 = 2.1 nM 464.47 O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5c(F)cc(F)cc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3342772 OBDepict HO O H H O N N N N H Cl IC50 = 2.2 nM 454.96 O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)CC2)CC1 Homo sapiens CHEMBL3386692 single protein format
CHEMBL3923853 OBDepict F O F N CH 3 H 3 C O OH N N H F F F IC50 = 2.2 nM 441.36 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)c(F)c1F)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3934471 OBDepict CH 3 N O CH 3 H 3 C CH 3 O HO N N H IC50 = 2.2 nM 419.53 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)c(C)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3905268 OBDepict OH O CH 3 H 3 C O N CH 3 Cl N N H F F F F F IC50 = 2.2 nM 503.86 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4557603 OBDepict OH O H H N N H F F F IC50 = 2.3 nM 478.51 O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3953308 OBDepict _ C + N N N H N CH 3 F F F O H 3 C CH 3 O HO IC50 = 2.3 nM 444.41 [C-]#[N+]c1cc(-c2cnc(OCC(C)(C)C(=O)O)cc2C)ccc1-c1ncc(C(F)(F)F)[nH]1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3947594 OBDepict H N N F F F N N O CH 3 H 3 C O OH IC50 = 2.3 nM 406.36 CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)cn2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3959701 OBDepict H 3 C CH 3 N N H N N O H 3 C H 3 C O HO IC50 = 2.4 nM 394.48 CC(C)Cc1cnc(-c2ccc(-c3ccc(OCC(C)(C)C(=O)O)nc3)nc2)[nH]1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3909308 OBDepict OH O CH 3 H 3 C O N F N N H F F F IC50 = 2.4 nM 463.43 CC(C)(COc1ccc(-c2ccc(-c3ncc(C4(C(F)(F)F)CC4)[nH]3)c(F)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4483357 OBDepict HO O H H O N N N N H F IC50 = 2.4 nM 446.48 O=C(O)C[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL2408471 OBDepict OH O H H O N N N N H F IC50 = 2.5 nM 432.46 O=C(O)[C@H]1CC[C@H](Oc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL4176968 OBDepict CH 3 O O HO N H N H O F F F IC50 = 2.5 nM 510.51 CC[C@@]1(CC(=O)O)CCc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2C1=O Homo sapiens CHEMBL4144917 assay format
CHEMBL4476596 OBDepict Cl N N H N N N CH 3 O HO IC50 = 2.5 nM 447.93 CC1(C(=O)O)CCN(c2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3342774 OBDepict HO O H H O N N N N H F F F IC50 = 2.5 nM 488.51 O=C(O)[C@H]1CC[C@@H](OC2CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)CC1 Homo sapiens CHEMBL3386692 single protein format
CHEMBL3985288 OBDepict CH 3 O OH O CH 3 N CH 3 N N N H F F F IC50 = 2.6 nM 448.45 CCC(CC)(COc1cc(C)c(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nc2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3974443 OBDepict HO O CH 3 H 3 C O N H 3 C N N H F F F IC50 = 2.6 nM 473.5 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CCC3)[nH]2)cc1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3917023 OBDepict OH O CH 3 H 3 C O N N N H F F F F F IC50 = 2.7 nM 455.38 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)C(F)(F)F)[nH]3)cn2)cc1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3963423 OBDepict F O N CH 3 H 3 C O OH N N H F F F IC50 = 2.7 nM 423.37 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)c(F)c1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3342773 OBDepict HO O H H O N N N N H Cl IC50 = 2.9 nM 454.96 O=C(O)[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)CC2)CC1 Homo sapiens CHEMBL3386692 single protein format
CHEMBL4534257 OBDepict Cl N N H N N N H O OH IC50 = 2.9 nM 419.87 O=C(O)C1(CNc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3957934 OBDepict OH O O N CH 3 Cl N N H F F F IC50 = 2.9 nM 451.83 Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3943341 OBDepict H N N F F F N O CH 3 H 3 C O OH IC50 = 2.9 nM 405.38 CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4173715 OBDepict O N H NH N N F F O O OH F F F IC50 = 3.0 nM 534.44 O=C(O)C[C@]1(CC(F)(F)F)CCc2cc(-c3cnc(NC(=O)Nc4ccc(F)c(F)c4)cn3)ccc2C1=O Homo sapiens CHEMBL4144920 assay format
CHEMBL4163009 OBDepict OH O O F F F N N N H NH O F F F IC50 = 3.0 nM 566.46 O=C(O)C[C@]1(CC(F)(F)F)CCc2cc(-c3cnc(NC(=O)Nc4cccc(C(F)(F)F)c4)cn3)ccc2C1=O Homo sapiens CHEMBL4144920 assay format
CHEMBL4168991 OBDepict CH 3 O O HO N H N H O F F F IC50 = 3.0 nM 510.51 CCC1(CC(=O)O)CCc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2C1=O Homo sapiens CHEMBL4144917 assay format
CHEMBL4176181 OBDepict O N H HN O O OH F F F IC50 = 3.0 nM 496.49 O=C(O)CC1(CC(F)(F)F)CCc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2C1=O Homo sapiens CHEMBL4144917 assay format
CHEMBL4091946 OBDepict O O N O OH N N N H F F F IC50 = 3.0 nM 508.46 O=C(O)c1ccc2c(c1)C(=O)OC21CCN(c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn2)CC1 Homo sapiens CHEMBL4050156 cell membrane format
CHEMBL2408631 OBDepict H N N N F F F N O H H O OH IC50 = 3.0 nM 482.46 O=C(O)[C@H]1CC[C@H](Oc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL2410614 single protein format
CHEMBL3133009 OBDepict H H N H O HO O N O N N H F F F IC50 = 3.0 nM 474.44 O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4cc(F)c(F)cc4F)o3)cc2)CC1 Homo sapiens CHEMBL3136000 single protein format
CHEMBL3133006 OBDepict HO O H H O N F N H O N O N NH F F IC50 = 3.0 nM 477.4 O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)nc1F)c1nnc(Nc2ccc(F)c(F)c2)o1 Homo sapiens CHEMBL3136000 single protein format
CHEMBL3133014 OBDepict OH O H H O F N H O N O N HN F F F IC50 = 3.0 nM 494.4 O=C(Nc1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1nnc(Nc2cc(F)c(F)cc2F)o1 Homo sapiens CHEMBL3136000 single protein format
CHEMBL3976365 OBDepict F N O CH 3 H 3 C O OH Cl N N H F F F IC50 = 3.0 nM 457.81 CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(Cl)c2)cc1F)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL4461148 OBDepict Cl N N H N N O O OH IC50 = 3.1 nM 420.86 O=C(O)C1(COc2ccc(-c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)cn2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3895784 OBDepict CH 3 O OH O CH 3 N N N N H F F F IC50 = 3.1 nM 434.42 CCC(CC)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3919429 OBDepict OH O CH 3 H 3 C O N CH 3 N N N H F F F IC50 = 3.1 nM 420.39 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 Homo sapiens CHEMBL3888275 assay format
CHEMBL4473500 OBDepict HO O H H O N N N N H Cl IC50 = 3.1 nM 468.99 O=C(O)C[C@H]1CC[C@H](OC2CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)CC2)CC1 Homo sapiens CHEMBL4392490 single protein format
CHEMBL3943945 OBDepict OH O CH 3 H 3 C O N CH 3 F N N H IC50 = 3.1 nM 423.49 Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)c(F)c1 Homo sapiens CHEMBL3888275 assay format
CHEMBL3959521 OBDepict F F N N N H O F F F CH 3 H 3 C O OH IC50 = 3.1 nM 441.36 CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2F)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL3907566 OBDepict F N N N H N F F F O CH 3 H 3 C O OH IC50 = 3.1 nM 424.35 CC(C)(COc1ccc(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O Homo sapiens CHEMBL3888275 assay format
CHEMBL2408621 OBDepict N N N H N N O H H O HO IC50 = 3.2 nM 439.48 N#Cc1ccc2[nH]c(-c3ccc(-c4ccc(O[C@H]5CC[C@@H](C(=O)O)CC5)nc4)nc3)nc2c1 Homo sapiens CHEMBL2410614 single protein format