BDBM50135501 4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-2-methyl-benzoic acid methyl ester::CHEMBL130716

SMILES: COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1C)S(C)(=O)=O

InChI Key: InChIKey=KGXXQONCTPQGOO-UHFFFAOYSA-N

Data: 1 IC50

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 = 50135501   

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
Chymase (Homo sapiens (Human))	BDBM50135501 (4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyla...) Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c(c1C)S(C)(=O)=O Show InChI InChI=1S/C19H18ClNO6S3/c1-10-13(18(22)27-3)6-7-15(17(10)29(4,23)24)21-30(25,26)19-11(2)14-9-12(20)5-8-16(14)28-19/h5-9,21H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Toa Eiyo Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human chymase				Bioorg Med Chem Lett 13: 4085-8 (2003) BindingDB Entry DOI: 10.7270/Q2QN665P
					More data for this Ligand-Target Pair