O00767 | SCD_HUMAN | Stearoyl-CoA desaturase (SCD)
3D structures mapped by conservation among orthologs
[ Domain: "Integral membrane Acyl-CoA desaturase" // FA_desaturase ]
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
Only the first 20 rows are shown.
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL564507 |  |
IC50 | = | 0.04 | nM | 465.5 | CCNc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1056246 | microsome format |
| CHEMBL494748 |  |
IC50 | = | 0.05 | nM | 544.96 | COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1 | Homo sapiens | CHEMBL1010955 | cell-based format |
| CHEMBL593108 |  |
IC50 | = | 0.06 | nM | 508.5 | FC(F)(F)c1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 | Homo sapiens | CHEMBL1071957 | cell-based format |
| CHEMBL1276595 |  |
IC50 | = | 0.06 | nM | 474.95 | Clc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 | Homo sapiens | CHEMBL1285217 | microsome format |
| CHEMBL1276623 |  |
IC50 | = | 0.1 | nM | 476.49 | Fc1ccc(F)c2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 | Homo sapiens | CHEMBL1285217 | microsome format |
| CHEMBL1276653 |  |
IC50 | = | 0.2 | nM | 454.53 | Cc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 | Homo sapiens | CHEMBL1285217 | microsome format |
| CHEMBL552173 |  |
IC50 | = | 0.3 | nM | 520.45 | COc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1056246 | microsome format |
| CHEMBL1276654 |  |
IC50 | = | 0.3 | nM | 458.5 | Fc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 | Homo sapiens | CHEMBL1285217 | microsome format |
| CHEMBL605412 |  |
IC50 | = | 0.45 | nM | 513.52 | O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1 | Homo sapiens | CHEMBL1071957 | cell-based format |
| CHEMBL3127535 |  |
IC50 | = | 0.5 | nM | 405.48 | OCc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 | Homo sapiens | CHEMBL3130897 | cell-based format |
| CHEMBL572876 |  |
IC50 | = | 0.5 | nM | 424.28 | O=C(CO)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc21 | Homo sapiens | CHEMBL1044832 | cell-based format |
| CHEMBL549625 |  |
IC50 | = | 0.6 | nM | 496.51 | COCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1056246 | microsome format |
| CHEMBL557445 |  |
IC50 | = | 0.6 | nM | 470.44 | COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1060792 | microsome format |
| CHEMBL595254 |  |
IC50 | = | 1.0 | nM | 479.97 | O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(Cl)cccc4O3)CC2)nn1 | Homo sapiens | CHEMBL1071957 | cell-based format |
| CHEMBL1087015 |  |
IC50 | = | 1.0 | nM | 426.42 | OCc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1 | Homo sapiens | CHEMBL1106892 | cell-based format |
| CHEMBL552126 |  |
IC50 | = | 1.0 | nM | 453.35 | COc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1060792 | microsome format |
| CHEMBL550800 |  |
IC50 | = | 1.0 | nM | 453.35 | COc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1OCCO | Homo sapiens | CHEMBL1060792 | microsome format |
| CHEMBL3914136 |  |
IC50 | = | 1.0 | nM | 480.47 | O=C(O)Cn1nnc(-c2cnc(N3CCC4(CCc5c(cccc5C(F)(F)F)O4)CC3)s2)n1 | Homo sapiens | CHEMBL3887402 | tissue-based format |
| CHEMBL3976984 |  |
IC50 | = | 1.0 | nM | 481.46 | O=C(O)Cn1nnc(-c2nnc(N3CCC4(CCc5c(cccc5C(F)(F)F)O4)CC3)s2)n1 | Homo sapiens | CHEMBL3887402 | tissue-based format |
| CHEMBL3979824 |  |
IC50 | = | 1.0 | nM | 426.5 | Cc1cccc2c1CCC1(CCN(c3ncc(-c4nnn(CC(=O)O)n4)s3)CC1)O2 | Homo sapiens | CHEMBL3887402 | tissue-based format |