BDBM50039114 1,2-Dicarboxy-3-propionylsulfanyl-propyl-ammonium

SMILES: CCC(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O

InChI Key: InChIKey=OFAANKVYISRRKA-UHFFFAOYSA-M

Data: 1 KI

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 = 50039114   

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
Lactoylglutathione lyase (Homo sapiens (Human))	BDBM50039114 (1,2-Dicarboxy-3-propionylsulfanyl-propyl-ammonium) Show SMILES CCC(=O)SCC(C([NH3+])C([O-])=O)C([O-])=O Show InChI InChI=1S/C8H13NO5S/c1-2-5(10)15-3-4(7(11)12)6(9)8(13)14/h4,6H,2-3,9H2,1H3,(H,11,12)(H,13,14)/p-1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.98E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Tested for inhibitory activity against yeast glyoxalase I				J Med Chem 37: 2161-6 (1994) BindingDB Entry DOI: 10.7270/Q2TT4RKK
					More data for this Ligand-Target Pair