BDBM50233201 CHEMBL4101254

SMILES: Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=KQAJBQQIAPTPOU-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50233201   

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))	BDBM50233201 (CHEMBL4101254) Show SMILES Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate				J Med Chem 60: 1568-1579 (2017) BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50233201 (CHEMBL4101254) Show SMILES Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50233201 (CHEMBL4101254) Show SMILES Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6| Show InChI InChI=1S/C17H12O3/c1-11-6-8-12(9-7-11)20-16-10-15(18)17(19)14-5-3-2-4-13(14)16/h2-10H,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) BindingDB Entry DOI: 10.7270/Q2FF3VMP
					More data for this Ligand-Target Pair