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PubMed code 21923190

Compile data set for download or QSAR
Found 10 hits of 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 2


(Homo sapiens (Human))		BDBM50304738
PNG
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1
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PubMed
 1.08n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360218
PNG
(CHEMBL1927827)
Show SMILES CCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H30IN3O6/c1-2-3-4-7-16(19(27)28)24-21(31)25-17(20(29)30)8-5-6-13-23-18(26)14-9-11-15(22)12-10-14/h9-12,16-17H,2-8,13H2,1H3,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50304727
PNG
((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...)
Show SMILES CSCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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 23n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360217
PNG
(CHEMBL1927829)
Show SMILES CCCCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H34IN3O6/c1-2-3-4-5-6-9-18(21(29)30)26-23(33)27-19(22(31)32)10-7-8-15-25-20(28)16-11-13-17(24)14-12-16/h11-14,18-19H,2-10,15H2,1H3,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t18-,19-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360219
PNG
(CHEMBL1927826)
Show SMILES CCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H28IN3O6/c1-2-3-6-15(18(26)27)23-20(30)24-16(19(28)29)7-4-5-12-22-17(25)13-8-10-14(21)11-9-13/h8-11,15-16H,2-7,12H2,1H3,(H,22,25)(H,26,27)(H,28,29)(H2,23,24,30)/t15-,16-/m0/s1
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 56n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360216
PNG
(CHEMBL1927828)
Show SMILES CCCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H32IN3O6/c1-2-3-4-5-8-17(20(28)29)25-22(32)26-18(21(30)31)9-6-7-14-24-19(27)15-10-12-16(23)13-11-15/h10-13,17-18H,2-9,14H2,1H3,(H,24,27)(H,28,29)(H,30,31)(H2,25,26,32)/t17-,18-/m0/s1
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 72n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360220
PNG
(CHEMBL1927825)
Show SMILES CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H24IN3O6/c1-2-13(16(24)25)21-18(28)22-14(17(26)27)5-3-4-10-20-15(23)11-6-8-12(19)9-7-11/h6-9,13-14H,2-5,10H2,1H3,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-,14-/m0/s1
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 121n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50304723
PNG
((S)-2-(3-((S)-1-Carboxybutyl)ureido)-6-(4-iodobenz...)
Show SMILES CCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h7-10,14-15H,2-6,11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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 145n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50360221
PNG
(CHEMBL1927824)
Show SMILES C[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H22IN3O6/c1-10(15(23)24)20-17(27)21-13(16(25)26)4-2-3-9-19-14(22)11-5-7-12(18)8-6-11/h5-8,10,13H,2-4,9H2,1H3,(H,19,22)(H,23,24)(H,25,26)(H2,20,21,27)/t10-,13-/m0/s1
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 325n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50304748
PNG
((S)-2-(3-(Carboxymethyl)ureido)-6-(4-iodobenzamido...)
Show SMILES OC(=O)CNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O |r|
Show InChI InChI=1S/C16H20IN3O6/c17-11-6-4-10(5-7-11)14(23)18-8-2-1-3-12(15(24)25)20-16(26)19-9-13(21)22/h4-7,12H,1-3,8-9H2,(H,18,23)(H,21,22)(H,24,25)(H2,19,20,26)/t12-/m0/s1
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 4.39E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...

J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
* indicates data uncertainty>20%