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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'limsakun' and Initial = 't'   
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


(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


(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


(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


(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))
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