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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)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
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)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
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)


Article DOI: 10.1021/jm950801q
BindingDB Entry DOI: 10.7270/Q2FN16V8
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)


Article DOI: 10.1021/acs.jmedchem.5b00278
BindingDB Entry DOI: 10.7270/Q2DR2X70
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)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
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)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
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)


Article DOI: 10.1021/jm400895s
BindingDB Entry DOI: 10.7270/Q21G0NPK
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)


Article DOI: 10.1021/jm049258g
BindingDB Entry DOI: 10.7270/Q2D50K77
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


Bioorg Med Chem Lett 13: 2097-100 (2003)


Article DOI: 10.1016/s0960-894x(03)00407-4
BindingDB Entry DOI: 10.7270/Q2Z60NF2
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)


Article DOI: 10.1021/jm051019l
BindingDB Entry DOI: 10.7270/Q28C9TJD
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)


J Med Chem 44: 4170-5 (2001)


Article DOI: 10.1021/jm0001774
BindingDB Entry DOI: 10.7270/Q2D21WX8
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)


Article DOI: 10.1021/jm049258g
BindingDB Entry DOI: 10.7270/Q2D50K77
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)


Article DOI: 10.1016/j.bmc.2007.11.030
BindingDB Entry DOI: 10.7270/Q2MC90VM
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)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
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)


Article DOI: 10.1021/jm070133w
BindingDB Entry DOI: 10.7270/Q29C6VPS
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)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
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


J Med Chem 44: 298-301 (2001)


Article DOI: 10.1021/jm000406m
BindingDB Entry DOI: 10.7270/Q2KD1X7Q
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)


Article DOI: 10.1124/dmd.112.046821
BindingDB Entry DOI: 10.7270/Q2W66NG5
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)


Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04
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


Bioorg Med Chem Lett 13: 2097-100 (2003)


Article DOI: 10.1016/s0960-894x(03)00407-4
BindingDB Entry DOI: 10.7270/Q2Z60NF2
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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PC sid
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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


Bioorg Med Chem Lett 13: 2097-100 (2003)


Article DOI: 10.1016/s0960-894x(03)00407-4
BindingDB Entry DOI: 10.7270/Q2Z60NF2
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
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)


Article DOI: 10.1021/jm801033c
BindingDB Entry DOI: 10.7270/Q2MW2H04
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