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Q6PIU2 | NCEH1_HUMAN | Neutral cholesterol ester hydrolase 1 (NCEH1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2071652 OBDepict Br Br O N O CH 3 CH 3 IC50 = 50.0 nM 373.04 CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071655 OBDepict Br Cl O N O CH 3 CH 3 IC50 = 80.0 nM 328.59 CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Cl Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071651 OBDepict CH 3 Br O N O CH 3 H 3 C IC50 = 130.0 nM 336.23 CCCc1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1 Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2069333 OBDepict CH 3 O H H O N H O O F IC50 = 150.0 nM 381.49 CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)Oc1ccccc1F Homo sapiens CHEMBL2072022 cell-based format
CHEMBL2071654 OBDepict CH 3 Cl O N O CH 3 H 3 C IC50 = 150.0 nM 291.78 CCCc1ccc2c(Cl)c(OC(=O)N(C)C)ccc2c1 Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071653 OBDepict N Cl O N O CH 3 CH 3 IC50 = 150.0 nM 274.71 CN(C)C(=O)Oc1ccc2cc(C#N)ccc2c1Cl Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071650 OBDepict N Br O N O CH 3 CH 3 IC50 = 150.0 nM 319.16 CN(C)C(=O)Oc1ccc2cc(C#N)ccc2c1Br Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071649 OBDepict O N O CH 3 CH 3 Br N O N IC50 = 310.0 nM 482.38 CN(C)C(=O)Oc1ccc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1Br Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071656 OBDepict O N O Br IC50 = 330.0 nM 306.16 O=C(Oc1ccc2ccccc2c1Br)N1CCC1 Homo sapiens CHEMBL2072019 cell-based format
CHEMBL2071641 OBDepict O N O CH 3 CH 3 I IC50 = 330.0 nM 341.15 CN(C)C(=O)Oc1ccc2ccccc2c1I Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071659 OBDepict O O N H Br IC50 = 710.0 nM 356.22 O=C(NCc1ccccc1)Oc1ccc2ccccc2c1Br Homo sapiens CHEMBL2072019 cell-based format
CHEMBL2071640 OBDepict O N O CH 3 CH 3 + N O _ O IC50 = 890.0 nM 260.25 CN(C)C(=O)Oc1ccc2ccccc2c1[N+](=O)[O-] Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071646 OBDepict O N O H 3 C CH 3 Br N H O IC50 = 920.0 nM 433.35 CN(C)C(=O)Oc1ccc2cc(C(=O)NC3CCCCCC3)ccc2c1Br Homo sapiens CHEMBL2072018 cell-based format
CHEMBL2071629 OBDepict Br O N O H 3 C CH 3 IC50 = 920.0 nM 294.15 CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1 Homo sapiens CHEMBL2072018 cell-based format