BDBM50102256 2-[3-(1-Carboxy-2-mercapto-ethyl)-ureido]-pentanedioic acid::CHEMBL103512

SMILES: OC(=O)CC[C@H](NC(=O)N[C@@H](CS)C(O)=O)C(O)=O

InChI Key: InChIKey=YSSXJYWVWWFWMY-WHFBIAKZSA-N

Data: 1 KI  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 2 hits for monomerid = 50102256   

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 (Homo sapiens (Human))	BDBM50102256 (2-[3-(1-Carboxy-2-mercapto-ethyl)-ureido]-pentaned...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CS)C(O)=O)C(O)=O Show InChI InChI=1S/C9H14N2O7S/c12-6(13)2-1-4(7(14)15)10-9(18)11-5(3-19)8(16)17/h4-5,19H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)/t4-,5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [123I]-DCIT from PSMA in human LNCaP cells after 1 hr by gamma counting				J Med Chem 56: 7890-901 (2013) Article DOI: 10.1021/jm400895s BindingDB Entry DOI: 10.7270/Q21G0NPK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase II (Rattus norvegicus)	BDBM50102256 (2-[3-(1-Carboxy-2-mercapto-ethyl)-ureido]-pentaned...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CS)C(O)=O)C(O)=O Show InChI InChI=1S/C9H14N2O7S/c12-6(13)2-1-4(7(14)15)10-9(18)11-5(3-19)8(16)17/h4-5,19H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)/t4-,5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against expressed rat Glutamate carboxypeptidase II, using a substrate concentration of 5 microM				J Med Chem 44: 298-301 (2001) BindingDB Entry DOI: 10.7270/Q2KD1X7Q
					More data for this Ligand-Target Pair