BDBM50517448 CHEMBL4530675

SMILES: O=C1Cc2cc(ccc2N1)S(=O)(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=HBSFAUGHJLYFDU-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 = 50517448   

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))	BDBM50517448 (CHEMBL4530675) Show SMILES O=C1Cc2cc(ccc2N1)S(=O)(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C17H13N3O3S/c21-16-10-12-9-13(6-7-14(12)19-16)24(22,23)20-15-5-1-3-11-4-2-8-18-17(11)15/h1-9,20H,10H2,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+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