BindingDB PrimarySearch

BDBM50246899 (S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)ureido)pentanedioic acid::CHEMBL510924::N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid

SMILES: OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=ROXRILBFJQYPNZ-KBPBESRZSA-N

Data: 6 KI 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50246899
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown origin) using folyl-di-L-glutamate as substrate by HPLC-based enzymatic ...				J Med Chem 58: 4357-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00278 BindingDB Entry DOI: 10.7270/Q2DR2X70
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay				J Med Chem 51: 7933-43 (2008) Article DOI: 10.1021/jm801055h BindingDB Entry DOI: 10.7270/Q2RV0NKJ
Institutions Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay				J Med Chem 51: 7933-43 (2008) Article DOI: 10.1021/jm801055h BindingDB Entry DOI: 10.7270/Q2RV0NKJ
Institutions Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	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
Eisai Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University College of Medicine Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin)				Bioorg Med Chem Lett 28: 572-576 (2018) Article DOI: 10.1016/j.bmcl.2018.01.047 BindingDB Entry DOI: 10.7270/Q2RN3BGJ
Yonsei University College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
Bayer HealthCare Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human PSMA using [3H]NAAG as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by li...				ACS Med Chem Lett 9: 1099-1104 (2018) Article DOI: 10.1021/acsmedchemlett.8b00318 BindingDB Entry DOI: 10.7270/Q2Q81GSC
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PSMA in human LNCaP cell extracts in presence of N-acetylaspartylglutamate by Amplex red glutamic acid dependent fluorescence-based NAA...				J Med Chem 63: 3261-3273 (2020) Article DOI: 10.1021/acs.jmedchem.9b02022
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)