BDBM50088512 CHEBI:59609::CHEMBL3527338

SMILES: O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O

InChI Key: InChIKey=JXIKYYSIYCILNG-HBWRTXEVSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50088512   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50088512 (CHEBI:59609 | CHEMBL3527338) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP				Drug Metab Dispos 41: 698-703 (2013) Article DOI: 10.1124/dmd.112.050252 BindingDB Entry DOI: 10.7270/Q25D8TKW
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50088512 (CHEBI:59609 | CHEMBL3527338) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 10 mins followed by 4NPA addition				Drug Metab Dispos 41: 698-703 (2013) Article DOI: 10.1124/dmd.112.050252 BindingDB Entry DOI: 10.7270/Q25D8TKW
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50088512 (CHEBI:59609 | CHEMBL3527338) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 60 mins followed by 4NPA addition				Drug Metab Dispos 41: 698-703 (2013) Article DOI: 10.1124/dmd.112.050252 BindingDB Entry DOI: 10.7270/Q25D8TKW
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50088512 (CHEBI:59609 | CHEMBL3527338) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 30 mins followed by 4NPA addition				Drug Metab Dispos 41: 698-703 (2013) Article DOI: 10.1124/dmd.112.050252 BindingDB Entry DOI: 10.7270/Q25D8TKW
					More data for this Ligand-Target Pair