BDBM50517462 CHEMBL4467660

SMILES: O=S(=O)(Nc1cc(CCc2ccccc2)cc2cccnc12)c1ccccn1

InChI Key: InChIKey=BBCPOWGOZQGCEI-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 = 50517462   

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))	BDBM50517462 (CHEMBL4467660) Show SMILES O=S(=O)(Nc1cc(CCc2ccccc2)cc2cccnc12)c1ccccn1 Show InChI InChI=1S/C22H19N3O2S/c26-28(27,21-10-4-5-13-23-21)25-20-16-18(12-11-17-7-2-1-3-8-17)15-19-9-6-14-24-22(19)20/h1-10,13-16,25H,11-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+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