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Compile Data Set for Download or QSAR

Found 868 hits Enz. Inhib. hit(s) with Target = 'Ionotropic glutamate receptor NMDA 1/2D' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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1n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- DCKA (5,7-dichlorokynurenic acid) in...


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284800
PNG
(((5R,6S)-9-Bromo-6-ethyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C15H15BrN2O4/c1-2-7-3-8-4-9(16)5-10-13(8)18(11(7)6-12(19)20)15(22)14(21)17-10/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)(H,19,20)/t7-,11+/m0/s1
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Article
1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50038046
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES Brc1cc2CC[C@@H](CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)/t14-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50038047
PNG
(2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...)
Show SMILES Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284815
PNG
(2-((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18ClN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16?/m0/s1
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Article
3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284801
PNG
(((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1
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Article
3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284801
PNG
(((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284805
PNG
(2-((5R,6S)-9-Bromo-6-ethyl-2,3-dioxo-2,3,6,7-tetra...)
Show SMILES CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C21H20BrN3O3/c1-2-12-8-13-9-14(22)10-16-19(13)25(21(28)20(27)24-16)17(12)11-18(26)23-15-6-4-3-5-7-15/h3-7,9-10,12,17H,2,8,11H2,1H3,(H,23,26)(H,24,27)/t12-,17+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284813
PNG
(((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahydr...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23
Show InChI InChI=1S/C14H13ClN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10?/m0/s1
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284817
PNG
((9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES OC(=O)CC1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11ClN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284818
PNG
(2-(9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyr...)
Show SMILES Clc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16ClN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082020
PNG
(2-Chloro-N-{2-[3-(7-chloro-4-hydroxy-2-oxo-1,2-dih...)
Show SMILES Oc1c(-c2cccc(Oc3ccccc3NC(=O)CCl)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C23H16Cl2N2O4/c24-12-20(28)26-17-6-1-2-7-19(17)31-15-5-3-4-13(10-15)21-22(29)16-9-8-14(25)11-18(16)27-23(21)30/h1-11H,12H2,(H,26,28)(H2,27,29,30)
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7.10n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284804
PNG
(2-((5S,7R)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-14(10-17(25)22-13-5-3-2-4-6-13)24-18-15(11)8-12(21)9-16(18)23-19(26)20(24)27/h2-6,8-9,11,14H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,14+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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8n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284807
PNG
(((5R,6R)-9-Bromo-6-isopropyl-2,3-dioxo-2,3,6,7-tet...)
Show SMILES CC(C)[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C16H17BrN2O4/c1-7(2)10-4-8-3-9(17)5-11-14(8)19(12(10)6-13(20)21)16(23)15(22)18-11/h3,5,7,10,12H,4,6H2,1-2H3,(H,18,22)(H,20,21)/t10-,12-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50038043
PNG
((9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido...)
Show SMILES OC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50038055
PNG
(((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-py...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)/t8-/m0/s1
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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11n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- glycine in rat cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50009591
PNG
(1-(2-Methyl-1-phenyl-cyclohexyl)-piperidine | CHEM...)
Show SMILES CC1CCCCC1(N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H27N/c1-16-10-6-7-13-18(16,17-11-4-2-5-12-17)19-14-8-3-9-15-19/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3
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11n/an/an/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by displacement of [3H]-TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate pre...


J Med Chem 34: 2615-23 (1991)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50013499
PNG
(1-chloromethyl-16-azatetracyclo[7.6.1.02,7.010,15]...)
Show SMILES ClCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H14ClN/c17-10-16-13-7-3-1-5-11(13)9-15(18-16)12-6-2-4-8-14(12)16/h1-8,15,18H,9-10H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50007778
PNG
(1-ethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadec...)
Show SMILES CCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C17H17N/c1-2-17-14-9-5-3-7-12(14)11-16(18-17)13-8-4-6-10-15(13)17/h3-10,16,18H,2,11H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082027
PNG
(2-Chloro-N-{3-[3-(7-chloro-4-hydroxy-2-oxo-1,2-dih...)
Show SMILES Oc1c(-c2cccc(Oc3cccc(NC(=O)CCl)c3)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C23H16Cl2N2O4/c24-12-20(28)26-15-4-2-6-17(11-15)31-16-5-1-3-13(9-16)21-22(29)18-8-7-14(25)10-19(18)27-23(21)30/h1-11H,12H2,(H,26,28)(H2,27,29,30)
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13.8n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50038168
PNG
(7-Chloro-4-hydroxy-3-(3-phenoxy-phenyl)-1H-quinoli...)
Show SMILES Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
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14n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284806
PNG
(2-((5S,7S)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1C[C@@H](CC(=O)Nc2ccccc2)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-14(10-17(25)22-13-5-3-2-4-6-13)24-18-15(11)8-12(21)9-16(18)23-19(26)20(24)27/h2-6,8-9,11,14H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,14-/m0/s1
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Article
17.1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50001265
PNG
(3-(4-Amino-phenyl)-5,7-dichloro-4-hydroxy-1H-quino...)
Show SMILES Nc1ccc(cc1)-c1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C15H10Cl2N2O2/c16-8-5-10(17)13-11(6-8)19-15(21)12(14(13)20)7-1-3-9(18)4-2-7/h1-6H,18H2,(H2,19,20,21)
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.


J Med Chem 35: 3423-5 (1992)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50013496
PNG
(2-[16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7...)
Show SMILES NCCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C17H18N2/c18-10-9-17-14-7-3-1-5-12(14)11-16(19-17)13-6-2-4-8-15(13)17/h1-8,16,19H,9-11,18H2
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284799
PNG
(2-((5R,6R)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16-/m1/s1
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Article
21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082022
PNG
(2-[3-(7-Chloro-4-hydroxy-2-oxo-1,2-dihydro-quinoli...)
Show SMILES Oc1c(-c2cccc(NCCS(F)(=O)=O)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C17H14ClFN2O4S/c18-11-4-5-13-14(9-11)21-17(23)15(16(13)22)10-2-1-3-12(8-10)20-6-7-26(19,24)25/h1-5,8-9,20H,6-7H2,(H2,21,22,23)
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24n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082021
PNG
(4-Fluorosulfonyl-benzoic acid 7-chloro-2-oxo-3-(3-...)
Show SMILES FS(=O)(=O)c1ccc(cc1)C(=O)Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C28H17ClFNO6S/c29-19-11-14-23-24(16-19)31-27(32)25(18-5-4-8-21(15-18)36-20-6-2-1-3-7-20)26(23)37-28(33)17-9-12-22(13-10-17)38(30,34)35/h1-16H,(H,31,32)
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24.2n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082024
PNG
(2-{2-[3-(7-Chloro-4-hydroxy-2-oxo-1,2-dihydro-quin...)
Show SMILES Oc1c(-c2cccc(Oc3ccccc3NCCS(F)(=O)=O)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C23H18ClFN2O5S/c24-15-8-9-17-19(13-15)27-23(29)21(22(17)28)14-4-3-5-16(12-14)32-20-7-2-1-6-18(20)26-10-11-33(25,30)31/h1-9,12-13,26H,10-11H2,(H2,27,28,29)
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26.8n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284798
PNG
(((5R,6R)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10-/m1/s1
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Article
29.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50013495
PNG
(1-bromomethyl-16-azatetracyclo[7.6.1.02,7.010,15]h...)
Show SMILES BrCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H14BrN/c17-10-16-13-7-3-1-5-11(13)9-15(18-16)12-6-2-4-8-14(12)16/h1-8,15,18H,9-10H2
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33n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284812
PNG
(((5S,7R)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@@H]1C[C@@H](CC(O)=O)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-8(5-11(18)19)17-12-9(6)3-7(15)4-10(12)16-13(20)14(17)21/h3-4,6,8H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,8+/m1/s1
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38.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50001266
PNG
(5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...)
Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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Article
40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50007755
PNG
(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3...)
Show SMILES OCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15NO/c18-10-16-13-7-3-1-5-11(13)9-15(17-16)12-6-2-4-8-14(12)16/h1-8,15,17-18H,9-10H2
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40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50001266
PNG
(5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...)
Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


J Med Chem 35: 3319-24 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50001266
PNG
(5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...)
Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.


J Med Chem 35: 3423-5 (1992)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082016
PNG
(2-Chloro-N-[3-(7-chloro-4-hydroxy-2-oxo-1,2-dihydr...)
Show SMILES Oc1c(-c2cccc(NC(=O)CCl)c2)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C17H12Cl2N2O3/c18-8-14(22)20-11-3-1-2-9(6-11)15-16(23)12-5-4-10(19)7-13(12)21-17(15)24/h1-7H,8H2,(H,20,22)(H2,21,23,24)
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42n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284811
PNG
(((5S,7S)-9-Bromo-7-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1C[C@@H](CC(O)=O)n2c3c1cc(Br)cc3[nH]c(=O)c2=O
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-8(5-11(18)19)17-12-9(6)3-7(15)4-10(12)16-13(20)14(17)21/h3-4,6,8H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,8-/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50284814
PNG
((9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[...)
Show SMILES OC(=O)CC1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11IN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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46.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082023
PNG
(7-Chloro-4-hydroxy-3-(3-isothiocyanato-phenyl)-1H-...)
Show SMILES Oc1c(-c2cccc(c2)N=C=S)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C16H9ClN2O2S/c17-10-4-5-12-13(7-10)19-16(21)14(15(12)20)9-2-1-3-11(6-9)18-8-22/h1-7H,(H2,19,20,21)
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47.6n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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53n/an/an/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by displacement of [3H]-TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate pre...


J Med Chem 34: 2615-23 (1991)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50082025
PNG
(4-Hydroxy-7-isothiocyanato-3-(3-phenoxy-phenyl)-1H...)
Show SMILES Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(ccc12)N=C=S
Show InChI InChI=1S/C22H14N2O3S/c25-21-18-10-9-15(23-13-28)12-19(18)24-22(26)20(21)14-5-4-8-17(11-14)27-16-6-2-1-3-7-16/h1-12H,(H2,24,25,26)
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64.3n/an/an/an/an/an/an/an/a



Université Louis Pasteur

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogen...


J Med Chem 42: 4394-404 (1999)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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65n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-TCP from PCP N-methyl-D-aspartate glutamate receptor in rat brain


J Med Chem 35: 4704-12 (1993)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50013493
PNG
(1-allyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadec...)
Show SMILES C=CCC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C18H17N/c1-2-11-18-15-9-5-3-7-13(15)12-17(19-18)14-8-4-6-10-16(14)18/h2-10,17,19H,1,11-12H2
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70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenatesin vitro was determined


J Med Chem 33: 1069-76 (1990)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50078513
PNG
(7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19)
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74n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Inhibition by displacing [3H]-Glycine of N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes


J Med Chem 45: 1035-44 (2002)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Rattus norvegicus)
BDBM50078513
PNG
(7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19)
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74n/an/an/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determined by using [3H]- glycine/NMDA


Citation and Details
More data for this
Ligand-Target Pair
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