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Compile Data Set for Download or QSAR

Found 62 hits from CoCensys Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate-NMDA


(RAT)
BDBM50056605
PNG
(7-Chloro-6-methyl-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES Cc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)
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n/an/a 4.70n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038161
PNG
(6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quin...)
Show SMILES [O-][N+](=O)c1c(Cl)c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)
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n/an/a 5.90n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052635
PNG
(5,6,7-Trichloro-1H-quinoline-2,3,4-trione 3-oxime ...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Cl)c12
Show InChI InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)
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n/an/a 7n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056596
PNG
(7-Bromo-6-methyl-5-nitro-1,4-dihydro-quinoxaline-2...)
Show SMILES Cc1c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)
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n/an/a 8.70n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052629
PNG
(6,7-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)
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n/an/a 12n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056618
PNG
(6,7-Dibromo-5-nitro-1,4-dihydro-quinoxaline-2,3-di...)
Show SMILES [O-][N+](=O)c1c(Br)c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C8H3Br2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)
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n/an/a 20n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056595
PNG
(6,7-Dimethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-d...)
Show SMILES Cc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1C)[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H2,11,12,14,15)
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n/an/a 29n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056620
PNG
(6-Chloro-7-ethyl-5-nitro-1,4-dihydro-quinoxaline-2...)
Show SMILES CCc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1Cl)[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H2,12,13,15,16)
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n/an/a 29n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052627
PNG
(5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione ...)
Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2c(Cl)c1Cl
Show InChI InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
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n/an/a 30n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052625
PNG
(5,7-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)
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n/an/a 33n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052626
PNG
(5,7-Dimethyl-1H-quinoline-2,3,4-trione 3-oxime | C...)
Show SMILES Cc1cc(C)c2c(O)c(N=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)
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n/an/a 37n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056600
PNG
(6-Chloro-7-methyl-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES Cc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1Cl)[N+]([O-])=O
Show InChI InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H2,11,12,14,15)
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n/an/a 45n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052631
PNG
(7-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)
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n/an/a 53n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056591
PNG
(7-Bromo-6-methoxy-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES COc1c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H2,11,12,14,15)
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n/an/a 64n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056598
PNG
(7-Methyl-8-nitro-2,3-dioxo-1,2,3,4-tetrahydro-quin...)
Show SMILES Cc1c(cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O)C#N
Show InChI InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H2,12,13,15,16)
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n/an/a 73n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056611
PNG
(6-Bromo-7-ethyl-5-nitro-1,4-dihydro-quinoxaline-2,...)
Show SMILES CCc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1Br)[N+]([O-])=O
Show InChI InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H2,12,13,15,16)
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n/an/a 82n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056597
PNG
(7-Fluoro-6-methyl-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES Cc1c(F)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)
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n/an/a 95n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM22778
PNG
(6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | 6...)
Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
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n/an/a 130n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056592
PNG
(7-Chloro-6-ethyl-5-nitro-1,4-dihydro-quinoxaline-2...)
Show SMILES CCc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H2,12,13,15,16)
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n/an/a 130n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM22778
PNG
(6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | 6...)
Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
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n/an/a 130n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056615
PNG
(5-Amino-7-chloro-6-methyl-1,4-dihydro-quinoxaline-...)
Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N
Show InChI InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)
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n/an/a 150n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056621
PNG
(7-Chloro-6-methoxy-5-nitro-1,4-dihydro-quinoxaline...)
Show SMILES COc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H2,11,12,14,15)
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n/an/a 150n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056606
PNG
(6,7-Diethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-di...)
Show SMILES CCc1cc2[n-]c(=[OH+])c(=O)[nH]c2c(c1CC)[N+]([O-])=O
Show InChI InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/a 160n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052621
PNG
(5,6-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)
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n/an/a 170n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50008757
PNG
(5,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | C...)
Show SMILES Clc1cc(Cl)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)
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n/an/a 280n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50048173
PNG
(C,C,C-Trifluoro-N-(7-nitro-2-oxo-1,2-dihydro-quino...)
Show SMILES [O-][N+](=O)c1ccc2cc(NS(=O)(=O)C(F)(F)F)c(=[OH+])[n-]c2c1
Show InChI InChI=1S/C10H6F3N3O5S/c11-10(12,13)22(20,21)15-8-3-5-1-2-6(16(18)19)4-7(5)14-9(8)17/h1-4,15H,(H,14,17)
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n/an/a 620n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-DCKA to N-methyl-D-aspartate glutamate receptor 1 in rat brain membrane


J Med Chem 40: 3679-86 (1997)


Article DOI: 10.1021/jm970396y
BindingDB Entry DOI: 10.7270/Q2S75FF8
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052624
PNG
(6-Chloro-5,7-difluoro-1,4-dihydro-quinoxaline-2,3-...)
Show SMILES Fc1cc2[nH]c(=O)c(=O)[nH]c2c(F)c1Cl
Show InChI InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
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n/an/a 630n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056593
PNG
(7-Chloro-6-ethylsulfanyl-5-nitro-1,4-dihydro-quino...)
Show SMILES CCSc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H2,12,13,15,16)
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n/an/a 640n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50060699
PNG
(7-Nitro-5-oxy-1,4-dihydro-pyrido[2,3-b]pyrazine-2,...)
Show SMILES [O-][N+](=O)c1c[n+]([O-])c2[n-]c(=[OH+])c(=[OH+])[n-]c2c1
Show InChI InChI=1S/C7H4N4O5/c12-6-7(13)9-5-4(8-6)1-3(11(15)16)2-10(5)14/h1-2H,(H2,8,9,12,13)
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n/an/a 690n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Binding affinity in rat brain cortical membranes by the displacement of [3H]- DCKA at N-methyl-D-aspartate glutamate receptor 1


J Med Chem 40: 3679-86 (1997)


Article DOI: 10.1021/jm970396y
BindingDB Entry DOI: 10.7270/Q2S75FF8
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052630
PNG
(5,6,7,8-Tetrafluoro-1,4-dihydro-quinoxaline-2,3-di...)
Show SMILES Fc1c(F)c(F)c2[nH]c(=O)c(=O)[nH]c2c1F
Show InChI InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)
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n/an/a 730n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056622
PNG
(6-Chloro-7-methyl-1,4-dihydro-quinoxaline-2,3-dion...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)
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n/an/a 780n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052633
PNG
(7-Chloro-6,8-difluoro-1H-quinoline-2,3,4-trione 3-...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2c(F)c(Cl)c(F)cc12
Show InChI InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)
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n/an/a 910n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50060694
PNG
(7-Bromo-5-oxy-1,4-dihydro-pyrido[2,3-b]pyrazine-2,...)
Show SMILES [O-][n+]1cc(Br)cc2[n-]c(=[OH+])c(=[OH+])[n-]c12
Show InChI InChI=1S/C7H4BrN3O3/c8-3-1-4-5(11(14)2-3)10-7(13)6(12)9-4/h1-2H,(H2,9,10,12,13)
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n/an/a 1.00E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Binding affinity in rat brain cortical membranes by the displacement of [3H]- DCKA at N-methyl-D-aspartate glutamate receptor 1


J Med Chem 40: 3679-86 (1997)


Article DOI: 10.1021/jm970396y
BindingDB Entry DOI: 10.7270/Q2S75FF8
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056614
PNG
(6-Bromo-7-methoxy-1,4-dihydro-quinoxaline-2,3-dion...)
Show SMILES COc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br
Show InChI InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50060700
PNG
(5-Oxy-7-trifluoromethyl-1,4-dihydro-pyrido[2,3-b]p...)
Show SMILES [O-][n+]1cc(cc2[n-]c(=[OH+])c(=[OH+])[n-]c12)C(F)(F)F
Show InChI InChI=1S/C8H4F3N3O3/c9-8(10,11)3-1-4-5(14(17)2-3)13-7(16)6(15)12-4/h1-2H,(H2,12,13,15,16)
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n/an/a 1.05E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Binding affinity in rat brain cortical membranes by the displacement of [3H]- DCKA at N-methyl-D-aspartate glutamate receptor 1


J Med Chem 40: 3679-86 (1997)


Article DOI: 10.1021/jm970396y
BindingDB Entry DOI: 10.7270/Q2S75FF8
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056613
PNG
(6-Chloro-7-ethyl-1,4-dihydro-quinoxaline-2,3-dione...)
Show SMILES CCc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)
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n/an/a 1.40E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052636
PNG
(1H-Quinoline-2,3,4-trione 3-oxime | CHEMBL42071)
Show SMILES Oc1c(N=O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)
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n/an/a 1.40E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50008747
PNG
(6-Chloro-1,4-dihydro-quinoxaline-2,3-dione | CHEMB...)
Show SMILES Clc1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
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n/an/a 1.80E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056623
PNG
(6,7-Diethyl-1,4-dihydro-quinoxaline-2,3-dione | CH...)
Show SMILES CCc1cc2[nH]c(=O)c(=O)[nH]c2cc1CC
Show InChI InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)
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n/an/a 1.80E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056610
PNG
(7-Fluoro-6-methoxy-5-nitro-1,4-dihydro-quinoxaline...)
Show SMILES COc1c(F)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H2,11,12,14,15)
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n/an/a 1.90E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052623
PNG
(5,7-Dimethyl-1,4-dihydro-quinoxaline-2,3-dione | C...)
Show SMILES Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)
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n/an/a 2.10E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056594
PNG
(8-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxaline-6...)
Show SMILES [O-][N+](=O)c1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)C#N
Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)
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n/an/a 2.80E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056602
PNG
(5-Nitro-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinoxa...)
Show SMILES [O-][N+](=O)c1c2CCCc2cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H2,12,13,15,16)
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n/an/a 3.10E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50008768
PNG
(6,7-Dimethyl-1,4-dihydro-quinoxaline-2,3-dione | C...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1C
Show InChI InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)
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n/an/a 3.30E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052622
PNG
(5,6,7,8-Tetrafluoro-1H-quinoline-2,3,4-trione 3-ox...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2c(F)c(F)c(F)c(F)c12
Show InChI InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)
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n/an/a 3.30E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052628
PNG
(6-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)
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n/an/a 3.40E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056616
PNG
(6-Ethoxy-7-fluoro-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES CCOc1c(F)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H2,12,13,15,16)
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n/an/a 3.60E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056617
PNG
(7-Fluoro-5-nitro-6-(3-phenyl-propoxy)-1,4-dihydro-...)
Show SMILES [O-][N+](=O)c1c(OCCCc2ccccc2)c(F)cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,19,20,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50056624
PNG
(6-Butoxy-7-fluoro-5-nitro-1,4-dihydro-quinoxaline-...)
Show SMILES CCCCOc1c(F)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O
Show InChI InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H2,14,15,17,18)
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n/an/a 4.30E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...


J Med Chem 40: 730-8 (1997)


Article DOI: 10.1021/jm960654b
BindingDB Entry DOI: 10.7270/Q2NZ86RJ
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50052634
PNG
(5-Chloro-1H-quinoline-2,3,4-trione 3-oxime | CHEMB...)
Show SMILES Oc1c(N=O)c(=O)[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)
PDB

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n/an/a 4.40E+3n/an/an/an/an/an/a



CoCensys Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes


J Med Chem 39: 3248-55 (1996)


Article DOI: 10.1021/jm960214k
BindingDB Entry DOI: 10.7270/Q2QC02KC
More data for this
Ligand-Target Pair
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