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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'femia' and Initial = 'fj'   
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))
BDBM50265453
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-(4-bromophenyl)ureido...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Br)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H25BrN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265381
PNG
((S)-2-(3-((S)-1-Carboxy-5-(4-chlorobenzylamino)pen...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(Cl)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26ClN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265471
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-(4-fluorophenyl)ureid...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(F)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H25FN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265454
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-(4-chlorophenyl)ureid...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(Cl)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H25ClN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265474
PNG
((S)-2-(3-((S)-1-Carboxy-5-(4-iodophenylsulfonamido...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H24IN3O9S/c19-11-4-6-12(7-5-11)32(30,31)20-10-2-1-3-13(16(25)26)21-18(29)22-14(17(27)28)8-9-15(23)24/h4-7,13-14,20H,1-3,8-10H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t13-,14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265783
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-(4-iodophenyl)ureido)...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265472
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-phenylureido)pentyl)u...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26N4O8/c24-15(25)10-9-14(17(28)29)23-19(31)22-13(16(26)27)8-4-5-11-20-18(30)21-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,20,21,30)(H2,22,23,31)/t13-,14-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265473
PNG
((9S,13S)-1-(3-iodophenyl)-3,11-dioxo-2,4,10,12-tet...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1cccc(I)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H27IN4O8/c21-13-5-3-4-12(10-13)11-23-19(32)22-9-2-1-6-14(17(28)29)24-20(33)25-15(18(30)31)7-8-16(26)27/h3-5,10,14-15H,1-2,6-9,11H2,(H,26,27)(H,28,29)(H,30,31)(H2,22,23,32)(H2,24,25,33)/t14-,15-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265377
PNG
((S)-2-(3-((S)-1-Carboxy-5-(4-iodobenzylamino)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(I)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265378
PNG
((S)-2-(3-((S)-1-Carboxy-5-(2-iodobenzylamino)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1I)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O7/c20-13-6-2-1-5-12(13)11-21-10-4-3-7-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h1-2,5-6,14-15,21H,3-4,7-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265380
PNG
((S)-2-(3-((S)-1-Carboxy-5-(4-bromobenzylamino)pent...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(Br)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26BrN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265489
PNG
((S)-2-(3-((S)-1-Carboxy-5-(naphthalen-1-ylmethylam...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc2ccccc12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H29N3O7/c27-20(28)12-11-19(22(31)32)26-23(33)25-18(21(29)30)10-3-4-13-24-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,24H,3-4,10-14H2,(H,27,28)(H,29,30)(H,31,32)(H2,25,26,33)/t18-,19-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265391
PNG
((S)-2-(3-((S)-1-Carboxy-5-(2-chlorobenzylamino)pen...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1Cl)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26ClN3O7/c20-13-6-2-1-5-12(13)11-21-10-4-3-7-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h1-2,5-6,14-15,21H,3-4,7-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265451
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-chlorobenzylamino)pen...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc(Cl)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26ClN3O7/c20-13-5-3-4-12(10-13)11-21-9-2-1-6-14(17(26)27)22-19(30)23-15(18(28)29)7-8-16(24)25/h3-5,10,14-15,21H,1-2,6-9,11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 277n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265379
PNG
((S)-2-(3-((S)-1-Carboxy-5-(3-iodobenzylamino)penty...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc(I)c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26IN3O7/c20-13-5-3-4-12(10-13)11-21-9-2-1-6-14(17(26)27)22-19(30)23-15(18(28)29)7-8-16(24)25/h3-5,10,14-15,21H,1-2,6-9,11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 443n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265784
PNG
((S)-2-(3-((S)-5-Amino-1-carboxypentyl)ureido)penta...)
Show SMILES NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H21N3O7/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8-/m0/s1
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n/an/a 498n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265452
PNG
((S)-2-(3-((S)-1-Carboxy-5-(4-fluorobenzylamino)pen...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(F)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H26FN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265782
PNG
((S)-2-(3-((S)-5-(Benzylamino)-1-carboxypentyl)urei...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H27N3O7/c23-16(24)10-9-15(18(27)28)22-19(29)21-14(17(25)26)8-4-5-11-20-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,20H,4-5,8-12H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t14-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.96E+3n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50265785
PNG
((S)-2-(3-(4-iodobenzyl)ureido)pentanedioic acid | ...)
Show SMILES OC(=O)CC[C@H](NC(=O)NCc1ccc(I)cc1)C(O)=O |r|
Show InChI InChI=1S/C13H15IN2O5/c14-9-3-1-8(2-4-9)7-15-13(21)16-10(12(19)20)5-6-11(17)18/h1-4,10H,5-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [131I]DCIT from PSMA in human LNCAP cells


J Med Chem 52: 347-57 (2009)


Article DOI: 10.1021/jm800994j
BindingDB Entry DOI: 10.7270/Q2V987ZZ
More data for this
Ligand-Target Pair