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Compile Data Set for Download or QSAR

Found 9 hits from Guilford   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glutamate Carboxypeptidase II (GCPII)


(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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Article
PubMed
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 (GCPII)


(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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Article
PubMed
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 (GCPII)


(Homo sapiens (human))
BDBM17758
PNG
((2R)-2-(phosphonomethyl)pentanedioic acid | (R)-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-/m0/s1
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n/an/a 30n/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 (docked)
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
BDBM17754
PNG
((2S)-2-({hydroxy[(2,3,4,5,6-pentafluorophenyl)meth...)
Show SMILES OC(=O)CC[C@H](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)/t5-/m1/s1
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n/an/a 34n/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
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
BDBM17757
PNG
((2S)-2-(3-sulfanylpropyl)pentanedioic acid | (S)-2...)
Show SMILES OC(=O)CC[C@@H](CCCS)C(O)=O
Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)/t6-/m1/s1
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n/an/a 67n/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
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
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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Article
PubMed
n/an/a 82n/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
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
BDBM17756
PNG
((2R)-2-(3-sulfanylpropyl)pentanedioic acid | (R)-2...)
Show SMILES OC(=O)CC[C@H](CCCS)C(O)=O
Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)/t6-/m0/s1
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PubMed
n/an/a 85n/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
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
BDBM17755
PNG
(2-(3-sulfanylpropyl)pentanedioic acid | 2-MPPA | C...)
Show SMILES OC(=O)CCC(CCCS)C(O)=O
Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)
PDB
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Article
PubMed
n/an/a 90n/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
Glutamate Carboxypeptidase II (GCPII)


(Homo sapiens (human))
BDBM17753
PNG
((2R)-2-({hydroxy[(2,3,4,5,6-pentafluorophenyl)meth...)
Show SMILES OC(=O)CC[C@@H](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)/t5-/m0/s1
PDB
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Article
PubMed
n/an/a 1.40E+3n/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