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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM50102258'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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PubMed
8n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity PSMA (unknown origin)


J Med Chem 58: 3094-103 (2015)


Article DOI: 10.1021/jm5018384
BindingDB Entry DOI: 10.7270/Q2MG7R6G
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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Article
PubMed
8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GCPII expressed in CHO cells assessed as accumulation of glutamate using NAAG as substrate by e Amplex Red glutamic acid assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128044
BindingDB Entry DOI: 10.7270/Q2SQ9459
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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PubMed
8n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin)


J Med Chem 58: 3094-103 (2015)


Article DOI: 10.1021/jm5018384
BindingDB Entry DOI: 10.7270/Q2MG7R6G
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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PubMed
n/an/a 47n/an/an/an/an/an/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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GCPII (unknown origin) expressed in DU-145 cells after 2 hrs by Amplex red reagent based fluorescence assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128044
BindingDB Entry DOI: 10.7270/Q2SQ9459
More data for this
Ligand-Target Pair