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PDB code 2JBJ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 22 hits Enzyme Inhibition Constant Data   
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 II

  (707/707 = 100%)
(Homo sapiens)
BDBM17759
PNG
((2S)-2-(phosphonomethyl)pentanedioic acid | (S)-2-...)
Show SMILES OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1
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0.100n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.200n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate


J Med Chem 46: 1989-96 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (609/707 = 86%)
(Rattus norvegicus)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.275n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of the Folate hydrolase


J Med Chem 39: 619-22 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.280n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.300n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.400n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...


J Med Chem 55: 9510-20 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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31n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate Carboxypeptidase II (GCPII)

  (707/707 = 100%)
(Homo sapiens (human))
BDBM17759
PNG
((2S)-2-(phosphonomethyl)pentanedioic acid | (S)-2-...)
Show SMILES OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1
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n/an/a 0.100n/an/an/an/a7.437



Guilford



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 48: 2319-24 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (609/707 = 86%)
(Rattus norvegicus)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Glutamate carboxypeptidase II


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate Carboxypeptidase II (GCPII)

  (707/707 = 100%)
(Homo sapiens (human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/a7.437



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate Carboxypeptidase II (GCPII)

  (707/707 = 100%)
(Homo sapiens (human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/a7.437



NCI-FCRDC



Assay Description
The inhibition concentration values of GCPII were determined using the radioenzymatic assay with [3H] NAAG (radiolabeled on the terminal glutamate). ...


J Med Chem 50: 3267-73 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate Carboxypeptidase II (GCPII)

  (707/707 = 100%)
(Homo sapiens (human))
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/a7.437



Guilford



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 48: 2319-24 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 0.300n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAALADase


Bioorg Med Chem 16: 1648-57 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 1.10n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...


J Med Chem 55: 9510-20 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (609/707 = 86%)
(Rattus norvegicus)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 5.10n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/a 300n/an/an/an/an/an/a



Johns Hopkins School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of GCP-2 (unknown origin)


Drug Metab Dispos 40: 2315-23 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/an/a 0.400n/an/an/an/an/a



Justus-Liebig-Universitat Giessen

Curated by ChEMBL


Assay Description
Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer


J Med Chem 52: 544-50 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17752
PNG
(2-({hydroxy[(2,3,4,5,6-pentafluorophenyl)methyl]ph...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
Show InChI InChI=1S/C13H12F5O6P/c14-8-6(9(15)11(17)12(18)10(8)16)4-25(23,24)3-5(13(21)22)1-2-7(19)20/h5H,1-4H2,(H,19,20)(H,21,22)(H,23,24)
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n/an/an/an/a 9.5n/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Glutamate carboxypeptidase II


Citation and Details
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/an/an/a 0.620n/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration of the compound required for the neuroprotective effect determined by inhibition of GCP II


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II

  (707/707 = 100%)
(Homo sapiens)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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n/an/an/a 0.5n/an/an/an/an/a



Justus-Liebig-Universitat Giessen

Curated by ChEMBL


Assay Description
Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in Tris-buffered saline buffer


J Med Chem 52: 544-50 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output