BDBM50051762 6-Chloromethyl-2-oxo-2H-chromene-3-carboxylic acid o-tolyl ester::CHEMBL83568::o-tolyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate

SMILES: Cc1ccccc1OC(=O)c1cc2cc(CCl)ccc2oc1=O

InChI Key: InChIKey=MQSUFJBIHSXXJW-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 = 50051762   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50051762 (6-Chloromethyl-2-oxo-2H-chromene-3-carboxylic acid...) Show SMILES Cc1ccccc1OC(=O)c1cc2cc(CCl)ccc2oc1=O Show InChI InChI=1S/C18H13ClO4/c1-11-4-2-3-5-15(11)22-17(20)14-9-13-8-12(10-19)6-7-16(13)23-18(14)21/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against alpha-chymotrypsin				J Med Chem 39: 2579-85 (1996) Article DOI: 10.1021/jm960090b BindingDB Entry DOI: 10.7270/Q2QJ7GC1
					More data for this Ligand-Target Pair