BDBM50025547 5-Butyl-6-chloro-pyran-2-one::CHEMBL16637

SMILES: CCCCc1ccc(=O)oc1Cl

InChI Key: InChIKey=KJSUTFMAKOKWBZ-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 = 50025547   

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
Chymotrypsin (Homo sapiens (Human))	BDBM50025547 (5-Butyl-6-chloro-pyran-2-one | CHEMBL16637) Show SMILES CCCCc1ccc(=O)oc1Cl Show InChI InChI=1S/C9H11ClO2/c1-2-3-4-7-5-6-8(11)12-9(7)10/h5-6H,2-4H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-chymotrypsin from bovine pancreas.				J Med Chem 29: 1159-63 (1987) BindingDB Entry DOI: 10.7270/Q27080D6
					More data for this Ligand-Target Pair