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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'maclin' and Initial = 'km'   
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))
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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0.200n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
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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n/an/a 0.300n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Rattus norvegicus)
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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n/an/a 0.300n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50085699
PNG
((S,S / R,R)4-Carboxy-5-[(2,4-dicarboxy-butyl)-hydr...)
Show SMILES OC(=O)CCC(CP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H19O10P/c13-9(14)3-1-7(11(17)18)5-23(21,22)6-8(12(19)20)2-4-10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)
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n/an/a 0.5n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106576
PNG
(2-[(2-Carboxy-propyl)-hydroxy-phosphinoylmethyl]-p...)
Show SMILES CC(CP(O)(=O)CC(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H17O8P/c1-6(9(13)14)4-19(17,18)5-7(10(15)16)2-3-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
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n/an/a 1.5n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106577
PNG
(2-[(2-Carboxy-3-phenyl-propyl)-hydroxy-phosphinoyl...)
Show SMILES OC(=O)CCC(CP(O)(=O)CC(Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H21O8P/c17-14(18)7-6-12(15(19)20)9-25(23,24)10-13(16(21)22)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106570
PNG
(2-{Hydroxy-[(4-methoxy-phenylamino)-methyl]-phosph...)
Show SMILES COc1ccc(NCP(O)(=O)CC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C14H20NO7P/c1-22-12-5-3-11(4-6-12)15-9-23(20,21)8-10(14(18)19)2-7-13(16)17/h3-6,10,15H,2,7-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106566
PNG
(2-(Hydroxy-phenylaminomethyl-phosphinoylmethyl)-pe...)
Show SMILES OC(=O)CCC(CP(O)(=O)CNc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H18NO6P/c15-12(16)7-6-10(13(17)18)8-21(19,20)9-14-11-4-2-1-3-5-11/h1-5,10,14H,6-9H2,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106575
PNG
(2-[Hydroxy-(hydroxy-pyridin-4-yl-methyl)-phosphino...)
Show SMILES OC(=O)CCC(CP(O)(O)C(=O)c1ccncc1)C(O)=O
Show InChI InChI=1S/C12H16NO7P/c14-10(15)2-1-9(11(16)17)7-21(19,20)12(18)8-3-5-13-6-4-8/h3-6,9,19-21H,1-2,7H2,(H,14,15)(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106567
PNG
(2-{[(3-Fluoro-phenyl)-hydroxy-methyl]-hydroxy-phos...)
Show SMILES OC(=O)CCC(CP(O)(O)C(=O)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C13H16FO7P/c14-10-3-1-2-8(6-10)13(19)22(20,21)7-9(12(17)18)4-5-11(15)16/h1-3,6,9,20-22H,4-5,7H2,(H,15,16)(H,17,18)
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n/an/a 16n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106564
PNG
(2-[(3,5-Difluoro-benzyl)-hydroxy-phosphinoylmethyl...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1cc(F)cc(F)c1)C(O)=O
Show InChI InChI=1S/C13H15F2O6P/c14-10-3-8(4-11(15)5-10)6-22(20,21)7-9(13(18)19)1-2-12(16)17/h3-5,9H,1-2,6-7H2,(H,16,17)(H,18,19)(H,20,21)
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n/an/a 49n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106568
PNG
(2-(Benzyl-hydroxy-phosphinoylmethyl)-pentanedioic ...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17O6P/c14-12(15)7-6-11(13(16)17)9-20(18,19)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)(H,16,17)(H,18,19)
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n/an/a 53n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106557
PNG
(2-[Hydroxy-(hydroxy-phenyl-methyl)-phosphinoylmeth...)
Show SMILES OC(=O)CCC(CP(O)(O)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17O7P/c14-11(15)7-6-10(12(16)17)8-21(19,20)13(18)9-4-2-1-3-5-9/h1-5,10,19-21H,6-8H2,(H,14,15)(H,16,17)
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n/an/a 55n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106560
PNG
(2-[(3,5-Bis-trifluoromethyl-benzyl)-hydroxy-phosph...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C15H15F6O6P/c16-14(17,18)10-3-8(4-11(5-10)15(19,20)21)6-28(26,27)7-9(13(24)25)1-2-12(22)23/h3-5,9H,1-2,6-7H2,(H,22,23)(H,24,25)(H,26,27)
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n/an/a 55n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106571
PNG
(2-[(Benzylamino-methyl)-hydroxy-phosphinoylmethyl]...)
Show SMILES OC(=O)CCC(CP(O)(O)C=NCc1ccccc1)C(O)=O |w:11.11|
Show InChI InChI=1S/C14H20NO6P/c16-13(17)7-6-12(14(18)19)9-22(20,21)10-15-8-11-4-2-1-3-5-11/h1-5,10,12,20-22H,6-9H2,(H,16,17)(H,18,19)
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n/an/a 59n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106555
PNG
(2-[Hydroxy-(4-methyl-benzyl)-phosphinoylmethyl]-pe...)
Show SMILES Cc1ccc(CP(O)(=O)CC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C14H19O6P/c1-10-2-4-11(5-3-10)8-21(19,20)9-12(14(17)18)6-7-13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 68n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM17752
PNG
(2-({hydroxy[(2,3,4,5,6-pentafluorophenyl)methyl]ph...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
Show InChI InChI=1S/C13H12F5O6P/c14-8-6(9(15)11(17)12(18)10(8)16)4-25(23,24)3-5(13(21)22)1-2-7(19)20/h5H,1-4H2,(H,19,20)(H,21,22)(H,23,24)
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n/an/a 82n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
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



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106572
PNG
(2-[Hydroxy-(4-methoxy-benzyl)-phosphinoylmethyl]-p...)
Show SMILES COc1ccc(CP(O)(=O)CC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C14H19O7P/c1-21-12-5-2-10(3-6-12)8-22(19,20)9-11(14(17)18)4-7-13(15)16/h2-3,5-6,11H,4,7-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 90n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106558
PNG
(2-[(2-Benzyloxycarbonyl-propyl)-hydroxy-phosphinoy...)
Show SMILES CC(CP(O)(=O)CC(CCC(O)=O)C(O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H23O8P/c1-12(17(22)25-9-13-5-3-2-4-6-13)10-26(23,24)11-14(16(20)21)7-8-15(18)19/h2-6,12,14H,7-11H2,1H3,(H,18,19)(H,20,21)(H,23,24)
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Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106563
PNG
(2-[(3-Amino-benzyl)-hydroxy-phosphinoylmethyl]-pen...)
Show SMILES Nc1cccc(CP(O)(=O)CC(CCC(O)=O)C(O)=O)c1
Show InChI InChI=1S/C13H18NO6P/c14-11-3-1-2-9(6-11)7-21(19,20)8-10(13(17)18)4-5-12(15)16/h1-3,6,10H,4-5,7-8,14H2,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 143n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106578
PNG
(2-(Hydroxy-phenethyl-phosphinoylmethyl)-pentanedio...)
Show SMILES OC(=O)CCC(CP(O)(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19O6P/c15-13(16)7-6-12(14(17)18)10-21(19,20)9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 149n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106565
PNG
(2-[(2-Fluoro-benzyl)-hydroxy-phosphinoylmethyl]-pe...)
Show SMILES OC(=O)CCC(CP(O)(=O)Cc1ccccc1F)C(O)=O
Show InChI InChI=1S/C13H16FO6P/c14-11-4-2-1-3-9(11)7-21(19,20)8-10(13(17)18)5-6-12(15)16/h1-4,10H,5-8H2,(H,15,16)(H,17,18)(H,19,20)
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n/an/a 156n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106554
PNG
(2-Phosphonomethyl-4-(5H-tetrazol-5-yl)-butyric aci...)
Show SMILES OC(=O)C(CCc1nnn[nH]1)CP(O)(O)=O
Show InChI InChI=1S/C6H11N4O5P/c11-6(12)4(3-16(13,14)15)1-2-5-7-9-10-8-5/h4H,1-3H2,(H,11,12)(H2,13,14,15)(H,7,8,9,10)
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n/an/a 175n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106556
PNG
(2-Phosphonomethyl-hexanedioic acid | CHEMBL334737)
Show SMILES OC(=O)CCCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H13O7P/c8-6(9)3-1-2-5(7(10)11)4-15(12,13)14/h5H,1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)
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n/an/a 185n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106562
PNG
(4-Phenyl-2-phosphonomethyl-butyric acid | CHEMBL13...)
Show SMILES OC(=O)C(CCc1ccccc1)CP(O)(O)=O
Show InChI InChI=1S/C11H15O5P/c12-11(13)10(8-17(14,15)16)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)(H2,14,15,16)
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n/an/a 199n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106559
PNG
(4-Cyano-2-phosphonomethyl-butyric acid | CHEMBL334...)
Show SMILES OC(=O)C(CCC#N)CP(O)(O)=O
Show InChI InChI=1S/C6H10NO5P/c7-3-1-2-5(6(8)9)4-13(10,11)12/h5H,1-2,4H2,(H,8,9)(H2,10,11,12)
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n/an/a 335n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106561
PNG
(2-(Hydroxy-propyl-phosphinoylmethyl)-pentanedioic ...)
Show SMILES CCCP(O)(=O)CC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H17O6P/c1-2-5-16(14,15)6-7(9(12)13)3-4-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)(H,14,15)
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Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106574
PNG
(2-(3-Hydroxy-benzyl)-3-phosphono-propionic acid | ...)
Show SMILES OC(=O)C(Cc1cccc(O)c1)CP(O)(O)=O
Show InChI InChI=1S/C10H13O6P/c11-9-3-1-2-7(5-9)4-8(10(12)13)6-17(14,15)16/h1-3,5,8,11H,4,6H2,(H,12,13)(H2,14,15,16)
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n/an/a 508n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106569
PNG
(2-Benzyl-3-phosphono-propionic acid | CHEMBL132313)
Show SMILES OC(=O)C(Cc1ccccc1)CP(O)(O)=O
Show InChI InChI=1S/C10H13O5P/c11-10(12)9(7-16(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)(H2,13,14,15)
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n/an/a 548n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127617
PNG
(2-(2-Mercapto-ethyl)-pentanedioic acid | CHEMBL292...)
Show SMILES OC(=O)CCC(CCS)C(O)=O
Show InChI InChI=1S/C7H12O4S/c8-6(9)2-1-5(3-4-12)7(10)11/h5,12H,1-4H2,(H,8,9)(H,10,11)
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n/an/a 580n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127612
PNG
(2-(4-Mercapto-butyl)-pentanedioic acid | CHEMBL603...)
Show SMILES OC(=O)CCC(CCCCS)C(O)=O
Show InChI InChI=1S/C9H16O4S/c10-8(11)5-4-7(9(12)13)3-1-2-6-14/h7,14H,1-6H2,(H,10,11)(H,12,13)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127615
PNG
(2-(2-Phosphonooxy-ethyl)-pentanedioic acid | CHEMB...)
Show SMILES OC(=O)CCC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H13O7P/c8-6(9)2-1-5(7(10)11)3-4-15(12,13)14/h5H,1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127620
PNG
(2-Phosphonooxy-pentanedioic acid | CHEMBL302413)
Show SMILES OC(=O)CCC(C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H9O7P/c6-4(7)2-1-3(5(8)9)13(10,11)12/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127619
PNG
(5-Mercapto-pentanoic acid | CHEMBL294565)
Show SMILES OC(=O)CCCCS
Show InChI InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50048693
PNG
(2-Phosphonomethyl-succinic acid | 2-Phosphonomethy...)
Show SMILES OC(=O)CC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H9O7P/c6-4(7)1-3(5(8)9)2-13(10,11)12/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127611
PNG
(2-Mercapto-pentanedioic acid | CHEMBL304885)
Show SMILES OC(=O)CCC(S)C(O)=O
Show InChI InChI=1S/C5H8O4S/c6-4(7)2-1-3(10)5(8)9/h3,10H,1-2H2,(H,6,7)(H,8,9)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127621
PNG
(2-(5-Mercapto-pentyl)-pentanedioic acid | CHEMBL61...)
Show SMILES OC(=O)CCC(CCCCCS)C(O)=O
Show InChI InChI=1S/C10H18O4S/c11-9(12)6-5-8(10(13)14)4-2-1-3-7-15/h8,15H,1-7H2,(H,11,12)(H,13,14)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Rattus norvegicus)
BDBM50106573
PNG
(2-(Hydroxy-phenyl-phosphinoylmethyl)-pentanedioic ...)
Show SMILES OC(=O)CCC(CP(O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H15O6P/c13-11(14)7-6-9(12(15)16)8-19(17,18)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)(H,15,16)(H,17,18)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain NAALADase (Folate hydrolase)


J Med Chem 44: 4170-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D21WX8
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127618
PNG
(2-[3-(4,6-Dicarboxy-hexyldisulfanyl)-propyl]-penta...)
Show SMILES OC(=O)CCC(CCCSSCCCC(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26O8S2/c17-13(18)7-5-11(15(21)22)3-1-9-25-26-10-2-4-12(16(23)24)6-8-14(19)20/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127614
PNG
(2-Mercaptomethyl-pentanedioic acid | CHEMBL60941)
Show SMILES OC(=O)CCC(CS)C(O)=O
Show InChI InChI=1S/C6H10O4S/c7-5(8)2-1-4(3-11)6(9)10/h4,11H,1-3H2,(H,7,8)(H,9,10)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127616
PNG
(2-(3-Methylsulfanyl-propyl)-pentanedioic acid | CH...)
Show SMILES CSCCCC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H16O4S/c1-14-6-2-3-7(9(12)13)4-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50127613
PNG
(2-(3-Tritylsulfanyl-propyl)-pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H28O4S/c28-25(29)19-18-21(26(30)31)11-10-20-32-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21H,10-11,18-20H2,(H,28,29)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair