BDBM50135494 4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonylamino)-3-methanesulfonyl-benzoic acid methyl ester::CHEMBL129901

SMILES: COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O

InChI Key: InChIKey=HQGLOZAWIWWMET-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50135494   

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))	BDBM50135494 (4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...) Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3	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	56	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
Chymotrypsin (Homo sapiens (Human))	BDBM50135494 (4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...) Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toa Eiyo Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against bovin chymotrypsin				Bioorg Med Chem Lett 13: 4085-8 (2003) BindingDB Entry DOI: 10.7270/Q2QN665P
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50135494 (4-(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonyla...) Show SMILES COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C18H16FNO6S3/c1-10-13-9-12(19)5-7-15(13)27-18(10)29(24,25)20-14-6-4-11(17(21)26-2)8-16(14)28(3,22)23/h4-9,20H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toa Eiyo Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against human cathepsin G				Bioorg Med Chem Lett 13: 4085-8 (2003) BindingDB Entry DOI: 10.7270/Q2QN665P
					More data for this Ligand-Target Pair