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PubMed code 21074428

Compile data set for download or QSAR
Found 17 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 II


(Homo sapiens)
BDBM50246899
PNG
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM17762
PNG
(3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...)
Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)
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n/an/a 15n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332218
PNG
(1-[(3-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-5-3-4-12(10-13)11-20-16-7-2-1-6-14(16)15(8-9-25)17(20)19(23)24/h1-7,10,25H,8-9,11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332228
PNG
(1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332217
PNG
(1-[(2-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccccc1C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-6-2-1-5-12(13)11-20-16-8-4-3-7-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332221
PNG
(1-[[3-carboxy-5-(1,1-dimethylethyl)phenyl]methyl]-...)
Show SMILES CC(C)(C)c1cc(Cn2c(C(O)=O)c(CCS)c3ccccc23)cc(c1)C(O)=O
Show InChI InChI=1S/C23H25NO4S/c1-23(2,3)16-11-14(10-15(12-16)21(25)26)13-24-19-7-5-4-6-17(19)18(8-9-29)20(24)22(27)28/h4-7,10-12,29H,8-9,13H2,1-3H3,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332220
PNG
(1-[(2-bromo-5-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1cc(ccc1Br)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(18(22)23)9-12(15)10-21-16-4-2-1-3-13(16)14(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
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)
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n/an/a 90n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332223
PNG
(1-[(2-carboxy-5-methoxyphenyl)methyl]-3-(2-mercapt...)
Show SMILES COc1ccc(C(O)=O)c(Cn2c(C(O)=O)c(CCS)c3ccccc23)c1
Show InChI InChI=1S/C20H19NO5S/c1-26-13-6-7-14(19(22)23)12(10-13)11-21-17-5-3-2-4-15(17)16(8-9-27)18(21)20(24)25/h2-7,10,27H,8-9,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 93n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332219
PNG
(1-[(4-carboxyphenyl)methyl]-3-(2-mercaptoethyl)-1H...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c21-18(22)13-7-5-12(6-8-13)11-20-16-4-2-1-3-14(16)15(9-10-25)17(20)19(23)24/h1-8,25H,9-11H2,(H,21,22)(H,23,24)
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n/an/a 94n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332222
PNG
(1-[(4-bromo-3-carboxyphenyl)methyl]-3-(2-mercaptoe...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccc(Br)c(c1)C(O)=O
Show InChI InChI=1S/C19H16BrNO4S/c20-15-6-5-11(9-14(15)18(22)23)10-21-16-4-2-1-3-12(16)13(7-8-26)17(21)19(24)25/h1-6,9,26H,7-8,10H2,(H,22,23)(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332215
PNG
(3-(2-Mercaptoethyl)-1H-indole-2-carboxylic acid | ...)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCS
Show InChI InChI=1S/C11H11NO2S/c13-11(14)10-8(5-6-15)7-3-1-2-4-9(7)12-10/h1-4,12,15H,5-6H2,(H,13,14)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332226
PNG
(1-(3-Carboxybenzyl)-3-(carboxymethyl)-1H-indole-2-...)
Show SMILES OC(=O)Cc1c(C(O)=O)n(Cc2cccc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H15NO6/c21-16(22)9-14-13-6-1-2-7-15(13)20(17(14)19(25)26)10-11-4-3-5-12(8-11)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332227
PNG
(3-(2-mercaptoethyl)-1-phenyl-1H-indole-2-carboxyli...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C17H15NO2S/c19-17(20)16-14(10-11-21)13-8-4-5-9-15(13)18(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H,19,20)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332216
PNG
(3-(2-Mercaptoethyl)-1-(phenylmethyl)-1H-indole-2-c...)
Show SMILES OC(=O)c1c(CCS)c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C18H17NO2S/c20-18(21)17-15(10-11-22)14-8-4-5-9-16(14)19(17)12-13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332225
PNG
(1-[(3-carboxyphenyl)methyl]-3-(2-methylsulfanyleth...)
Show SMILES CSCCc1c(C(O)=O)n(Cc2cccc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H19NO4S/c1-26-10-9-16-15-7-2-3-8-17(15)21(18(16)20(24)25)12-13-5-4-6-14(11-13)19(22)23/h2-8,11H,9-10,12H2,1H3,(H,22,23)(H,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50332224
PNG
(1-(3-carboxybenzyl)-3-(2-hydroxyethyl)-1H-indole-2...)
Show SMILES OCCc1c(C(O)=O)n(Cc2cccc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO5/c21-9-8-15-14-6-1-2-7-16(14)20(17(15)19(24)25)11-12-4-3-5-13(10-12)18(22)23/h1-7,10,21H,8-9,11H2,(H,22,23)(H,24,25)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G


Bioorg Med Chem Lett 20: 7222-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.109
BindingDB Entry DOI: 10.7270/Q2GB24B9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%