BDBM50350322 CHEMBL1812860

SMILES: CCC(=O)C(=O)c1ccccc1

InChI Key: InChIKey=PIRWSGXNBGFLEA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50350322   

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))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55E+3	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 carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.01E+3	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 carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.42E+3	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 carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+4	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 rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	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 acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50350322 (CHEMBL1812860) Show SMILES CCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	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 butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair