BDBM50517461 CHEMBL4575972

SMILES: COc1cc(OC)cc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12

InChI Key: InChIKey=XOESTEWXERVDDA-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 = 50517461   

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
Glyoxalase I (Homo sapiens (Human))	BDBM50517461 (CHEMBL4575972) Show SMILES COc1cc(OC)cc(c1)-c1ccc(NS(=O)(=O)c2ccccn2)c2ncccc12 Show InChI InChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...				J Med Chem 62: 1609-1625 (2019) Article DOI: 10.1021/acs.jmedchem.8b01868
					More data for this Ligand-Target Pair