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9 molecules are shown

Wt: 549.3
BDBM50246899
Wt: 477.2
BDBM50304748
Wt: 505.3
BDBM50304749
Wt: 503.2
BDBM50304750
Wt: 517.3
BDBM50304751
Wt: 515.2
BDBM50304722
Wt: 519.3
BDBM50304723
Wt: 516.2
BDBM50304725
Wt: 534.3
BDBM50304726

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50246899,50304748,50304749,50304750,50304751,50304722,50304723,50304725,50304726   
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


(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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0.00300n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown origin) using folyl-di-L-glutamate as substrate by HPLC-based enzymatic ...


J Med Chem 58: 4357-63 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00278
BindingDB Entry DOI: 10.7270/Q2DR2X70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Institutions

Curated by ChEMBL


Assay Description
Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay


J Med Chem 51: 7933-43 (2008)


Article DOI: 10.1021/jm801055h
BindingDB Entry DOI: 10.7270/Q2RV0NKJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Bayer HealthCare

Curated by ChEMBL


Assay Description
Binding affinity to NAALADase


J Med Chem 55: 9510-20 (2012)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304722
PNG
((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O
Show InChI InChI=1S/C19H22IN3O6/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/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304722
PNG
((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O
Show InChI InChI=1S/C19H22IN3O6/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/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Binding affinity to NAALADase


J Med Chem 55: 9510-20 (2012)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304751
PNG
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O
Show InChI InChI=1S/C19H24IN3O6/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/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Binding affinity to NAALADase


J Med Chem 55: 9510-20 (2012)


Article DOI: 10.1021/jm300710j
BindingDB Entry DOI: 10.7270/Q28053R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304751
PNG
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O
Show InChI InChI=1S/C19H24IN3O6/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/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
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
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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52.3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304725
PNG
((S)-2-(3-((S)-1-Carboxy-2-cyanoethyl)ureido)-6-(4-...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#N)C(O)=O
Show InChI InChI=1S/C18H21IN4O6/c19-12-6-4-11(5-7-12)15(24)21-10-2-1-3-13(16(25)26)22-18(29)23-14(8-9-20)17(27)28/h4-7,13-14H,1-3,8,10H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t13-,14-/m0/s1
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132n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens)
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
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 II


(Homo sapiens)
BDBM50304750
PNG
((S)-1-(3-(1-Carboxy-5-(4-iodobenzamido)pentyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)NC1(CC1)C(O)=O
Show InChI InChI=1S/C18H22IN3O6/c19-12-6-4-11(5-7-12)14(23)20-10-2-1-3-13(15(24)25)21-17(28)22-18(8-9-18)16(26)27/h4-7,13H,1-3,8-10H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-/m0/s1
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318n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304726
PNG
((S)-2-(3-((S)-3-Amino-1-carboxy-3-oxopropyl)ureido...)
Show SMILES NC(=O)C[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H23IN4O7/c19-11-6-4-10(5-7-11)15(25)21-8-2-1-3-12(16(26)27)22-18(30)23-13(17(28)29)9-14(20)24/h4-7,12-13H,1-3,8-9H2,(H2,20,24)(H,21,25)(H,26,27)(H,28,29)(H2,22,23,30)/t12-,13-/m0/s1
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320n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens)
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
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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1.32E+3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens)
BDBM50304749
PNG
((S)-2-(3-(3-Carboxypropyl)ureido)-6-(4-iodobenzami...)
Show SMILES OC(=O)CCCNC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O
Show InChI InChI=1S/C18H24IN3O6/c19-13-8-6-12(7-9-13)16(25)20-10-2-1-4-14(17(26)27)22-18(28)21-11-3-5-15(23)24/h6-9,14H,1-5,10-11H2,(H,20,25)(H,23,24)(H,26,27)(H2,21,22,28)/t14-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens)
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
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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UniChem

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Article
PubMed
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)