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Compile Data Set for Download or QSAR

Found 1044 hits with Last Name = 'wroblewski' and Initial = 'jt'   
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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50181745
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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0.25n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181745
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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0.370n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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0.710n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143073
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N6O7/c18-8(19)4-2-6(10(22)23)13-11(24)12-5(9(20)21)1-3-7-14-16-17-15-7/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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1.00n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 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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1.40n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160633
PNG
(2-methyl-6-[(5-phenylpyridin-3-yl)ethynyl]pyridine...)
Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C19H14N2/c1-15-6-5-9-19(21-15)11-10-16-12-18(14-20-13-16)17-7-3-2-4-8-17/h2-9,12-14H,1H3
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1.70n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143074
PNG
((S)-2-[3-((S)-Carboxy-phenyl-methyl)-ureido]-penta...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O7/c17-10(18)7-6-9(12(19)20)15-14(23)16-11(13(21)22)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,17,18)(H,19,20)(H,21,22)(H2,15,16,23)/t9-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143078
PNG
((S)-2-{3-[(S)-1-Carboxy-2-(4-hydroxy-phenyl)-ethyl...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143070
PNG
((S)-2-(3-{(S)-1-Carboxy-3-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnnn1CCC#N)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H19N7O7/c15-6-1-7-21-10(18-19-20-21)4-2-8(12(24)25)16-14(28)17-9(13(26)27)3-5-11(22)23/h8-9H,1-5,7H2,(H,22,23)(H,24,25)(H,26,27)(H2,16,17,28)/t8-,9-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143080
PNG
((S)-2-{3-[(S)-Carboxy-(4-hydroxy-phenyl)-methyl]-u...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@H](C(O)=O)c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O8/c17-8-3-1-7(2-4-8)11(13(22)23)16-14(24)15-9(12(20)21)5-6-10(18)19/h1-4,9,11,17H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H2,15,16,24)/t9-,11-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160627
PNG
(2-{[5-(2-furyl)pyridin-3-yl]ethynyl}-6-methylpyrid...)
Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1ccco1
Show InChI InChI=1S/C17H12N2O/c1-13-4-2-5-16(19-13)8-7-14-10-15(12-18-11-14)17-6-3-9-20-17/h2-6,9-12H,1H3
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6.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50102258
PNG
((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143069
PNG
((S)-2-[3-((S)-1-Carboxy-2-phenyl-ethyl)-ureido]-pe...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H18N2O7/c18-12(19)7-6-10(13(20)21)16-15(24)17-11(14(22)23)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H,20,21)(H,22,23)(H2,16,17,24)/t10-,11-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160624
PNG
(6-Methyl-5''-(6-methyl-pyridin-2-ylethynyl)-[2,3''...)
Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H15N3/c1-14-5-3-7-18(21-14)10-9-16-11-17(13-20-12-16)19-8-4-6-15(2)22-19/h3-8,11-13H,1-2H3
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13n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143066
PNG
((2S,5S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-urei...)
Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H18N2O9/c1-5(9(17)18)4-7(11(21)22)14-12(23)13-6(10(19)20)2-3-8(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H2,13,14,23)/t5-,6-,7-/m0/s1
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14.4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143068
PNG
((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)[C@H](CCc1nnn[nH]1)NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
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14.9n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160640
PNG
(2-(3-Furan-2-yl-phenylethynyl)-6-methyl-pyridine |...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)-c1ccco1
Show InChI InChI=1S/C18H13NO/c1-14-5-2-8-17(19-14)11-10-15-6-3-7-16(13-15)18-9-4-12-20-18/h2-9,12-13H,1H3
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36n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160631
PNG
(2-{[5-(3-methoxyphenyl)pyridin-3-yl]ethynyl}-6-met...)
Show SMILES COc1cccc(c1)-c1cncc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C20H16N2O/c1-15-5-3-7-19(22-15)10-9-16-11-18(14-21-13-16)17-6-4-8-20(12-17)23-2/h3-8,11-14H,1-2H3
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74n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143064
PNG
((2S,5R)-2-Benzyl-4-[3-((S)-3-carboxy-1-carboxy-pro...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H22N2O9/c21-14(22)7-6-12(16(25)26)19-18(29)20-13(17(27)28)9-11(15(23)24)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,19,20,29)/t11?,12-,13-/m0/s1
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95.3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160622
PNG
(2-Methyl-6-(3-thiophen-2-yl-phenylethynyl)-pyridin...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)-c1cccs1
Show InChI InChI=1S/C18H13NS/c1-14-5-2-8-17(19-14)11-10-15-6-3-7-16(13-15)18-9-4-12-20-18/h2-9,12-13H,1H3
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147n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160623
PNG
(2-methyl-6-[(5-thien-2-ylpyridin-3-yl)ethynyl]pyri...)
Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1cccs1
Show InChI InChI=1S/C17H12N2S/c1-13-4-2-5-16(19-13)8-7-14-10-15(12-18-11-14)17-6-3-9-20-17/h2-6,9-12H,1H3
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155n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143077
PNG
((S)-2-{3-[(S)-3-Carboxy-1-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C11H16N6O7/c18-7(19)3-1-5(9-14-16-17-15-9)12-11(24)13-6(10(22)23)2-4-8(20)21/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1
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335n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143075
PNG
((2S,5R)-2-[3-((S)-3-Carboxy-1-carboxy-4-phenyl-but...)
Show SMILES OC(=O)[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](Cc1ccccc1)C(O)=O)C(O)=O)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O9/c28-21(29)17(11-15-7-3-1-4-8-15)13-19(23(32)33)26-25(36)27-20(24(34)35)14-18(22(30)31)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,26,27,36)/t17?,18?,19-,20-/m0/s1
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392n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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398n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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398n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143072
PNG
((S)-2-[3-((S)-1,3-Dicarboxy-1-methyl-propyl)-ureid...)
Show SMILES C[C@@](CCC(O)=O)(NC(=O)N[C@@](C)(CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-12(9(20)21,5-3-7(16)17)14-11(24)15-13(2,10(22)23)6-4-8(18)19/h3-6H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t12-,13-/m0/s1
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939n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160621
PNG
(2-Biphenyl-3-ylethynyl-6-methyl-pyridine | CHEMBL1...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N/c1-16-7-5-12-20(21-16)14-13-17-8-6-11-19(15-17)18-9-3-2-4-10-18/h2-12,15H,1H3
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993n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50398813
PNG
(CHEMBL2114987)
Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7-,8-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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1.26E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50398814
PNG
(CHEMBL2115435)
Show SMILES C[C@H](C[C@H](NC(=O)N[C@@H](C[C@@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7+,8+/m1/s1
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1.29E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50160630
PNG
(2-(3''-Methoxy-biphenyl-3-ylethynyl)-6-methyl-pyri...)
Show SMILES COc1cccc(c1)-c1cccc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C21H17NO/c1-16-6-3-10-20(22-16)13-12-17-7-4-8-18(14-17)19-9-5-11-21(15-19)23-2/h3-11,14-15H,1-2H3
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2.36E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143067
PNG
((S)-2-(3-{(S)-3-Carboxy-1-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnnn1CCC#N)C(O)=O
Show InChI InChI=1S/C14H19N7O7/c15-6-1-7-21-12(18-19-20-21)8(2-4-10(22)23)16-14(28)17-9(13(26)27)3-5-11(24)25/h8-9H,1-5,7H2,(H,22,23)(H,24,25)(H,26,27)(H2,16,17,28)/t8-,9-/m0/s1
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2.71E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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3.24E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143065
PNG
((S)-4-{3-[(S)-3-Carboxy-1-(1H-tetrazol-5-yl)-propy...)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)c1nnn[nH]1)c1nnn[nH]1
Show InChI InChI=1S/C11H16N10O5/c22-7(23)3-1-5(9-14-18-19-15-9)12-11(26)13-6(2-4-8(24)25)10-16-20-21-17-10/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
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4.39E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2


(Homo sapiens (Human))
BDBM50143079
PNG
((S)-2-(3-{(S)-1-Carboxy-3-[1-(2-cyano-ethyl)-1H-te...)
Show SMILES OC(=O)[C@H](CCc1nnnn1CCC#N)NC(=O)N[C@@H](CCc1nnnn1CCC#N)C(O)=O
Show InChI InChI=1S/C17H22N12O5/c18-7-1-9-28-13(22-24-26-28)5-3-11(15(30)31)20-17(34)21-12(16(32)33)4-6-14-23-25-27-29(14)10-2-8-19/h11-12H,1-6,9-10H2,(H,30,31)(H,32,33)(H2,20,21,34)/t11-,12-/m0/s1
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4.43E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay


J Med Chem 47: 1729-38 (2004)


Article DOI: 10.1021/jm0306226
BindingDB Entry DOI: 10.7270/Q2DZ07RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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5.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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6.03E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM86201
PNG
(L-homocysteine sulfinic acid)
Show SMILES N[C@@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
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6.17E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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PubMed
6.31E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86196
PNG
(D-homocysteic acid)
Show SMILES N[C@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86197
PNG
(D-homocysteine sulfinic acid)
Show SMILES N[C@H](CCS(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86205
PNG
(D-homocysteine thiolactone)
Show SMILES N[C@@H]1CCSC1=O |r|
Show InChI InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86195
PNG
(CAS_6137 | CAS_84815 | D-methionine | L-methionine...)
Show SMILES CSCCC(N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86202
PNG
(CAS_778 | DL-homocysteine | NSC_778)
Show SMILES NC(CCS)C(O)=O
Show InChI InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85473
PNG
(L-Cysteic acid, 8 | L-cysteic acid)
Show SMILES NC(CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86203
PNG
(CAS_5862 | L-cysteine | NSC_5862)
Show SMILES NC(CS)C(O)=O
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86199
PNG
(CAS_595 | CAS_67678 | D-cystine | L-cystine | NSC_...)
Show SMILES NC(CSSCC(N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 131-42 (2003)


Article DOI: 10.1124/jpet.102.047092
BindingDB Entry DOI: 10.7270/Q2VT1QN7
More data for this
Ligand-Target Pair
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