BDBM50213421 (S)-2-amino-5-((S)-1-(carboxymethylamino)-7-methoxy-1,5,7-trioxoheptan-2-ylamino)-5-oxopentanoic acid::CHEMBL438862

SMILES: COC(=O)CC(=O)CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI Key: InChIKey=ZXXTWVGKYVLEQP-UWVGGRQHSA-N

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 = 50213421   

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 (Saccharomyces cerevisiae)	BDBM50213421 ((S)-2-amino-5-((S)-1-(carboxymethylamino)-7-methox...) Show SMILES COC(=O)CC(=O)CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C15H23N3O9/c1-27-13(23)6-8(19)2-4-10(14(24)17-7-12(21)22)18-11(20)5-3-9(16)15(25)26/h9-10H,2-7,16H2,1H3,(H,17,24)(H,18,20)(H,21,22)(H,25,26)/t9-,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of yeast glyoxalase 1				Bioorg Med Chem Lett 17: 3793-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.056 BindingDB Entry DOI: 10.7270/Q2KD1XMN
					More data for this Ligand-Target Pair