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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'mlcochová' and Initial = 'p'   
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 [44-750]


(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



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 2 [44-750]


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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PDB
Article
PubMed
n/an/a 9.50E+3n/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 2 [44-750]


(Homo sapiens (Human))
BDBM17661
PNG
((2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimi...)
Show SMILES N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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Article
PubMed
n/an/a 6.70E+4n/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
Glutamate carboxypeptidase 2 [44-750]


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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Article
PubMed
n/an/a 4.28E+5n/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
Glutamate carboxypeptidase 2 [44-750]


(Homo sapiens (Human))
BDBM17663
PNG
((2S)-2-amino-3-(sulfooxy)propanoic acid | L-SOS | ...)
Show SMILES N[C@@H](COS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
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KEGG

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KEGG
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Article
PubMed
n/an/a 4.38E+5n/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 2 [44-750]


(Homo sapiens (Human))
BDBM17664
PNG
((2S)-2-amino-3-(phosphonooxy)propanoic acid | CHEM...)
Show SMILES N[C@@H](COP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
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CHEMBL
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Article
PubMed
n/an/a 5.23E+5n/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
Glutamate carboxypeptidase 2 [44-750]


(Homo sapiens (Human))
BDBM17662
PNG
((2S)-2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl...)
Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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KEGG

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CHEMBL
MCE
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+7n/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