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PubMed code 14985418

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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PubMed
9.40n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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210n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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210n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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620n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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630n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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630n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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1.60E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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1.60E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
Grik2


()
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM86476
PNG
(NS1209 | SPD 502)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2=C(NOC(CCO)C(O)=O)C(=O)N=c2c2CN(C)CCc12
Show InChI InChI=1S/C24H28N4O7S/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
Grik2


()
BDBM50137133
PNG
(4,6-Bis-benzoylamino-isophthalic acid | CHEMBL1567...)
Show SMILES OC(=O)c1cc(C(O)=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
Grik2


()
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM85741
PNG
(ATPA | CAS_140158-50-5 | NSC_2253)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by PDSP Ki Database




J Pharmacol Exp Ther 309: 1003-10 (2004)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2610XX3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%