BDBM50517488 CHEMBL4516514

SMILES: COc1cc(CCc2cc(NS(=O)(=O)c3ccccn3)c3ncccc3c2)cc(OC)c1

InChI Key: InChIKey=VUWWMSNXOFYCMV-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 = 50517488   

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))	BDBM50517488 (CHEMBL4516514) Show SMILES COc1cc(CCc2cc(NS(=O)(=O)c3ccccn3)c3ncccc3c2)cc(OC)c1 Show InChI InChI=1S/C24H23N3O4S/c1-30-20-13-18(14-21(16-20)31-2)9-8-17-12-19-6-5-11-26-24(19)22(15-17)27-32(28,29)23-7-3-4-10-25-23/h3-7,10-16,27H,8-9H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	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