BDBM17762 3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic acid::Thiol-Based Inhibitor, 6c

SMILES: OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O

InChI Key: InChIKey=JKPYNGWTXQIZFC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 17762   

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
Glutamate Carboxypeptidase II (GCPII) (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
MGI Pharma					Assay Description GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well ...				J Med Chem 49: 2876-85 (2006) Article DOI: 10.1021/jm051019l BindingDB Entry DOI: 10.7270/Q28C9TJD
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G				Bioorg Med Chem Lett 20: 7222-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.109 BindingDB Entry DOI: 10.7270/Q2GB24B9
					More data for this Ligand-Target Pair