BDBM50517444 CHEMBL4582717

SMILES: O=S(=O)(CCCc1ccccc1)Nc1cccc2cccnc12

InChI Key: InChIKey=APZZKINGXHIXCI-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 = 50517444   

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))	BDBM50517444 (CHEMBL4582717) Show SMILES O=S(=O)(CCCc1ccccc1)Nc1cccc2cccnc12 Show InChI InChI=1S/C18H18N2O2S/c21-23(22,14-6-9-15-7-2-1-3-8-15)20-17-12-4-10-16-11-5-13-19-18(16)17/h1-5,7-8,10-13,20H,6,9,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+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