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Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'zhou' and Initial = 'zl'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glutamate receptor ionotropic, NMDA 1


(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
Caspase-9


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-9 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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
Caspase-8


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-8 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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
Caspase-7


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-7 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066544
PNG
(4-[2-(5-Phenyl-pentylamino)-ethyl]-phenol | CHEMBL...)
Show SMILES Oc1ccc(CCNCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2
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n/an/a 8n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.

J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369783
PNG
(CHEMBL1203902)
Show SMILES Oc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1 |t:8|
Show InChI InChI=1S/C21H25NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13,23H,4-5,8,14-17H2
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n/an/a 11n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50085922
PNG
(4-(4-Hydroxy-phenyl)-1-(4-phenyl-butyl)-piperidin-...)
Show SMILES Oc1ccc(cc1)C1(O)CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c23-20-11-9-19(10-12-20)21(24)13-16-22(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,23-24H,4-5,8,13-17H2
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n/an/a 12n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066538
PNG
(4-[3-(4-Phenyl-butylamino)-propyl]-phenol | CHEMBL...)
Show SMILES Oc1ccc(CCCNCCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H25NO/c21-19-13-11-18(12-14-19)10-6-16-20-15-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,11-14,20-21H,4-6,9-10,15-16H2
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n/an/a 15n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50085933
PNG
(4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
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n/an/a 17n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-6 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50085927
PNG
(4-[1-(2-Hydroxy-4-phenyl-butyl)-piperidin-4-yl]-ph...)
Show SMILES OC(CCc1ccccc1)CN1CCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-10-7-18(8-11-20)19-12-14-22(15-13-19)16-21(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,19,21,23-24H,6,9,12-16H2
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369786
PNG
(CHEMBL1201889)
Show SMILES Oc1ccc(cc1)C1CCN(CCOCc2ccccc2)CC1
Show InChI InChI=1S/C20H25NO2/c22-20-8-6-18(7-9-20)19-10-12-21(13-11-19)14-15-23-16-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Caspase-1 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369791
PNG
(CHEMBL1202296)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,23H,4-5,8,13-17H2
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n/an/a 22n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50079386
PNG
(4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol | 4-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
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n/an/a 25n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes

J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50085929
PNG
(4-(4-Hydroxy-phenyl)-1-(2-hydroxy-4-phenyl-butyl)-...)
Show SMILES OC(CCc1ccccc1)CN1CCC(O)(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c23-19-10-7-18(8-11-19)21(25)12-14-22(15-13-21)16-20(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,20,23-25H,6,9,12-16H2
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n/an/a 26n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50079389
PNG
(4-{2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-ethoxy}-...)
Show SMILES Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO2/c1-17-2-4-18(5-3-17)16-19-10-12-22(13-11-19)14-15-24-21-8-6-20(23)7-9-21/h2-9,19,23H,10-16H2,1H3
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n/an/a 28n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes

J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1


(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
Caspase-3


(Homo sapiens (Human))		BDBM50140543
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Caspase-3 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066547
PNG
(4-[2-(6-Phenyl-hexylamino)-ethyl]-phenol | CHEMBL4...)
Show SMILES Oc1ccc(CCNCCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c22-20-13-11-19(12-14-20)15-17-21-16-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-14,21-22H,1-2,4,7-8,15-17H2
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n/an/a 35n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50079385
PNG
(1-[2-(4-Hydroxy-phenoxy)-ethyl]-4-(4-methyl-benzyl...)
Show SMILES Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
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n/an/a 43n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes

J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066539
PNG
(4-[2-(4-Phenyl-butylamino)-ethyl]-phenol | CHEMBL1...)
Show SMILES Oc1ccc(CCNCCCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO/c20-18-11-9-17(10-12-18)13-15-19-14-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
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n/an/a 43n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066546
PNG
(4-[3-(5-Phenyl-pentylamino)-propyl]-phenol | CHEMB...)
Show SMILES Oc1ccc(CCCNCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c22-20-14-12-19(13-15-20)11-7-17-21-16-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-15,21-22H,2,5-7,10-11,16-17H2
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University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50079388
PNG
(4-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethoxy}-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C20H24FNO2/c21-18-3-1-16(2-4-18)15-17-9-11-22(12-10-17)13-14-24-20-7-5-19(23)6-8-20/h1-8,17,23H,9-15H2
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CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes

J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50085921
PNG
(4-[1-(3-Phenyl-propyl)-piperidin-4-ylmethyl]-pheno...)
Show SMILES Oc1ccc(CC2CCN(CCCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H27NO/c23-21-10-8-19(9-11-21)17-20-12-15-22(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,23H,4,7,12-17H2
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n/an/a 59n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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
Caspase-3


(Homo sapiens (Human))		BDBM50366934
PNG
(CHEMBL1794026)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Show InChI InChI=1S/C19H25FN2O6/c1-3-12(2)17(18(26)21-14(9-16(24)25)15(23)10-20)22-19(27)28-11-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t12-,14?,17-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Caspase-3 enzyme

Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369784
PNG
(CHEMBL1202295)
Show SMILES Oc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H29NO/c24-22-11-9-20(10-12-22)18-21-13-16-23(17-14-21)15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-12,21,24H,4-5,8,13-18H2
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n/an/a 71n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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n/an/a 73n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.

J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369782
PNG
(CHEMBL1203909)
Show SMILES Oc1ccc(cc1)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)19-12-15-21(16-13-19)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,22H,4,7,12-16H2
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n/an/a 74n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50369787
PNG
(CHEMBL1203901)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO/c24-22-12-10-20(11-13-22)21-14-17-23(18-15-21)16-6-2-5-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21,24H,2,5-6,9,14-18H2
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n/an/a 75n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.

J Med Chem 43: 984-94 (2000)


BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50080011
PNG
((2E)-3-(4-hydroxyphenyl)-N-(4-phenylbutyl)acrylami...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H21NO2/c21-18-12-9-17(10-13-18)11-14-19(22)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-14,21H,4-5,8,15H2,(H,20,22)/b14-11+
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n/an/a 77n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.

J Med Chem 42: 3412-20 (1999)


Article DOI: 10.1021/jm990199u
BindingDB Entry DOI: 10.7270/Q2RR1XFD
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1


(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 receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50066543
PNG
(4-[2-(3-Phenyl-propylamino)-ethyl]-phenol | CHEMBL...)
Show SMILES Oc1ccc(CCNCCCc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO/c19-17-10-8-16(9-11-17)12-14-18-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14H2
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n/an/a 96n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor

J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)		BDBM50078498
PNG
(4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenol...)
Show SMILES Oc1ccc(cc1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO/c23-21-10-8-18(9-11-21)7-4-14-22-15-12-20(13-16-22)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,12-17H2
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n/an/a 100n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against rat NR1A/2B receptor expressed in Xenopus oocytes

J Med Chem 42: 2469-77 (1999)


Article DOI: 10.1021/jm990148x
BindingDB Entry DOI: 10.7270/Q24B30H5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50078491
PNG
(CHEMBL83938 | N-{4-[4-(4-Benzyl-piperidin-1-yl)-bu...)
Show SMILES CC(=O)Nc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H28N2O/c1-20(27)25-24-12-10-21(11-13-24)7-5-6-16-26-17-14-23(15-18-26)19-22-8-3-2-4-9-22/h2-4,8-13,23H,6,14-19H2,1H3,(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat using [3H]-raclopride as radioligand

J Med Chem 42: 2469-77 (1999)


Article DOI: 10.1021/jm990148x
BindingDB Entry DOI: 10.7270/Q24B30H5
More data for this
Ligand-Target Pair
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