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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'NAALADase II' AND taxid = 9606   
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
NAALADase II


(Homo sapiens)
BDBM50143073
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N6O7/c18-8(19)4-2-6(10(22)23)13-11(24)12-5(9(20)21)1-3-7-14-16-17-15-7/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(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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1.40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143074
PNG
((S)-2-[3-((S)-Carboxy-phenyl-methyl)-ureido]-penta...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O7/c17-10(18)7-6-9(12(19)20)15-14(23)16-11(13(21)22)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,17,18)(H,19,20)(H,21,22)(H2,15,16,23)/t9-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143078
PNG
((S)-2-{3-[(S)-1-Carboxy-2-(4-hydroxy-phenyl)-ethyl...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143070
PNG
((S)-2-(3-{(S)-1-Carboxy-3-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnnn1CCC#N)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H19N7O7/c15-6-1-7-21-10(18-19-20-21)4-2-8(12(24)25)16-14(28)17-9(13(26)27)3-5-11(22)23/h8-9H,1-5,7H2,(H,22,23)(H,24,25)(H,26,27)(H2,16,17,28)/t8-,9-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143080
PNG
((S)-2-{3-[(S)-Carboxy-(4-hydroxy-phenyl)-methyl]-u...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O8/c17-8-3-1-7(2-4-8)11(13(22)23)16-14(24)15-9(12(20)21)5-6-10(18)19/h1-4,9,11,17H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H2,15,16,24)/t9-,11-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143069
PNG
((S)-2-[3-((S)-1-Carboxy-2-phenyl-ethyl)-ureido]-pe...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O7/c18-12(19)7-6-10(13(20)21)16-15(24)17-11(14(22)23)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H,20,21)(H,22,23)(H2,16,17,24)/t10-,11-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143066
PNG
((2S,5S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-urei...)
Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H18N2O9/c1-5(9(17)18)4-7(11(21)22)14-12(23)13-6(10(19)20)2-3-8(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H2,13,14,23)/t5-,6-,7-/m0/s1
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14.4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143068
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)[C@H](CCc1nnn[nH]1)NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
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14.9n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143064
PNG
((2S,5R)-2-Benzyl-4-[3-((S)-3-carboxy-1-carboxy-pro...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H22N2O9/c21-14(22)7-6-12(16(25)26)19-18(29)20-13(17(27)28)9-11(15(23)24)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,19,20,29)/t11?,12-,13-/m0/s1
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95.3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143077
PNG
((S)-2-{3-[(S)-3-Carboxy-1-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C11H16N6O7/c18-7(19)3-1-5(9-14-16-17-15-9)12-11(24)13-6(10(22)23)2-4-8(20)21/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1
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335n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143075
PNG
((2S,5R)-2-[3-((S)-3-Carboxy-1-carboxy-4-phenyl-but...)
Show SMILES OC(=O)[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](Cc1ccccc1)C(O)=O)C(O)=O)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O9/c28-21(29)17(11-15-7-3-1-4-8-15)13-19(23(32)33)26-25(36)27-20(24(34)35)14-18(22(30)31)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,26,27,36)/t17?,18?,19-,20-/m0/s1
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392n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143072
PNG
((S)-2-[3-((S)-1,3-Dicarboxy-1-methyl-propyl)-ureid...)
Show SMILES C[C@@](CCC(O)=O)(NC(=O)N[C@@](C)(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-12(9(20)21,5-3-7(16)17)14-11(24)15-13(2,10(22)23)6-4-8(18)19/h3-6H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t12-,13-/m0/s1
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939n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50398813
PNG
(CHEMBL2114987)
Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7-,8-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50398814
PNG
(CHEMBL2115435)
Show SMILES C[C@H](C[C@H](NC(=O)N[C@@H](C[C@@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7+,8+/m1/s1
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1.29E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143067
PNG
((S)-2-(3-{(S)-3-Carboxy-1-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnnn1CCC#N)C(O)=O
Show InChI InChI=1S/C14H19N7O7/c15-6-1-7-21-12(18-19-20-21)8(2-4-10(22)23)16-14(28)17-9(13(26)27)3-5-11(24)25/h8-9H,1-5,7H2,(H,22,23)(H,24,25)(H,26,27)(H2,16,17,28)/t8-,9-/m0/s1
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2.71E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143065
PNG
((S)-4-{3-[(S)-3-Carboxy-1-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnn[nH]1)c1nnn[nH]1
Show InChI InChI=1S/C11H16N10O5/c22-7(23)3-1-5(9-14-18-19-15-9)12-11(26)13-6(2-4-8(24)25)10-16-20-21-17-10/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
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4.39E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143079
PNG
((S)-2-(3-{(S)-1-Carboxy-3-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)[C@H](CCc1nnnn1CCC#N)NC(=O)N[C@@H](CCc1nnnn1CCC#N)C(O)=O
Show InChI InChI=1S/C17H22N12O5/c18-7-1-9-28-13(22-24-26-28)5-3-11(15(30)31)20-17(34)21-12(16(32)33)4-6-14-23-25-27-29(14)10-2-8-19/h11-12H,1-6,9-10H2,(H,30,31)(H,32,33)(H2,20,21,34)/t11-,12-/m0/s1
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Article
PubMed
4.43E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
NAALADase II


(Homo sapiens)
BDBM50143071
PNG
((S)-4-(3-{(S)-3-Carboxy-1-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnnn1CCC#N)c1nnnn1CCC#N
Show InChI InChI=1S/C17H22N12O5/c18-7-1-9-28-15(22-24-26-28)11(3-5-13(30)31)20-17(34)21-12(4-6-14(32)33)16-23-25-27-29(16)10-2-8-19/h11-12H,1-6,9-10H2,(H,30,31)(H,32,33)(H2,20,21,34)/t11-,12-/m0/s1
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair