BDBM50315220 (2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate::CHEMBL1091983

SMILES: Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1coc(=O)o1

InChI Key: InChIKey=PJOJRTXYGCBIQQ-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 = 50315220   

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
Catechol O-methyltransferase (MB-COMT) (Homo sapiens (Human))	BDBM50315220 ((2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydro...) Show SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1coc(=O)o1 Show InChI InChI=1S/C13H6ClNO9S/c14-7-5-1-6(16)9(17)8(15(20)21)10(5)25-11(7)12(18)22-2-4-3-23-13(19)24-4/h1,3,16-17H,2H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant COMT by microplate screening assay				Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R
					More data for this Ligand-Target Pair