BDBM50517439 CHEMBL4456581

SMILES: O=S(=O)(Nc1cccc2cccnc12)c1ccc(cn1)N1CCOCC1

InChI Key: InChIKey=CRJQWJWMHPDVOK-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 = 50517439   

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))	BDBM50517439 (CHEMBL4456581) Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccc(cn1)N1CCOCC1 Show InChI InChI=1S/C18H18N4O3S/c23-26(24,21-16-5-1-3-14-4-2-8-19-18(14)16)17-7-6-15(13-20-17)22-9-11-25-12-10-22/h1-8,13,21H,9-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	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