BDBM50081697 6-Chloro-3-(3-cyclohexyl-propyl)-pyran-2-one::CHEMBL336175

SMILES: Clc1ccc(CCCC2CCCCC2)c(=O)o1

InChI Key: InChIKey=KIDVWGSJRZRWEU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50081697   

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
Cholesterol esterase (Homo sapiens (Human))	BDBM50081697 (6-Chloro-3-(3-cyclohexyl-propyl)-pyran-2-one | CHE...) Show SMILES Clc1ccc(CCCC2CCCCC2)c(=O)o1 Show InChI InChI=1S/C14H19ClO2/c15-13-10-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Curated by ChEMBL					Assay Description Inhibition of the Pancreatic Cholesterol Esterase from porcine				J Med Chem 42: 4250-6 (1999) BindingDB Entry DOI: 10.7270/Q2KP81C5
					More data for this Ligand-Target Pair