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Compile Data Set for Download or QSAR

Found 2338 hits Enz. Inhib. hit(s) with Target = 'NMDA'   
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 [NMDA] receptor


(Homo sapiens)
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)
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n/an/an/a 1n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 1.90n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain olfactory tubercle


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain cortex


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 5.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain straitum


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 5.40n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain thalamus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 5.90n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain olfactory tubercle


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 7.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain hippocampus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 9.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain hippocampus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 9.30n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain straitum


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 9.80n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain cortex


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 15.2n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain thalamus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/an/a 94n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human NR2B receptor


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate-NMDA


(RAT)
BDBM50414372
PNG
(CHEMBL2145458)
Show SMILES NC[C@@H]1NC(=O)CNC1=O
Show InChI InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1
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n/an/an/a 5.00E+4n/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2A receptor expressed in Xenopus oocytes assessed as inhibition of glycine-induced electrophysiological response


Bioorg Med Chem Lett 19: 3832-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.021
BindingDB Entry DOI: 10.7270/Q2Z0386F
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124914
PNG
(CHEMBL161180 | N-(3,5-Dichloro-benzyl)-4-trifluoro...)
Show SMILES NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124909
PNG
(CHEMBL159744 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...)
Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198694
PNG
(US9221796, 23b)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198665
PNG
(US9221796, 2b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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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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


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198687
PNG
(US9221796, 18b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198681
PNG
(US9221796, 13b)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H26N2O2/c25-20-8-6-18(7-9-20)19-10-13-23(14-11-19)21-12-15-24(22(21)26)16-17-4-2-1-3-5-17/h1-9,19,21,25H,10-16H2/t21-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198685
PNG
(US9221796, 17)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)


BindingDB Entry DOI: 10.7270/Q2C24TX8
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198835
PNG
(US9221796, 116)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H23ClF2N2O2/c23-16-4-1-14(2-5-16)12-27-10-8-20(22(27)29)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2/t17-,19+,20+/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212688
PNG
(2-(3,5-dimethyl-benzyl)-5-trifluoromethoxy-2,3-dih...)
Show SMILES Cc1cc(C)cc(CN2Cc3cc(OC(F)(F)F)ccc3C2=N)c1
Show InChI InChI=1S/C18H17F3N2O/c1-11-5-12(2)7-13(6-11)9-23-10-14-8-15(24-18(19,20)21)3-4-16(14)17(23)22/h3-8,22H,9-10H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to NMDA NR2B receptor


Bioorg Med Chem Lett 17: 3997-4000 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50124908
PNG
(CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
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2.10n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212685
PNG
(2-benzofuran-7-ylmethyl-5-trifluoromethoxy-2,3-dih...)
Show SMILES FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc4ccoc34)Cc2c1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-5-15-13(8-14)10-23(17(15)22)9-12-3-1-2-11-6-7-24-16(11)12/h1-8,22H,9-10H2
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2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to NMDA NR2B receptor


Bioorg Med Chem Lett 17: 3997-4000 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2


(Homo sapiens)
BDBM50037706
PNG
(CHEMBL3357791)
Show SMILES C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23+
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2.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198724
PNG
(US9221796, 45, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F
Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(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-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merz Co. GmbH & Co.

Curated by PDSP Ki Database




Neuropharmacology 34: 533-40 (1995)


BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198834
PNG
(US9221796, 115)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1
Show InChI InChI=1S/C23H26F2N2O2/c1-15-2-4-16(5-3-15)13-27-11-9-21(23(27)29)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3/t18-,20+,21+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50447405
PNG
(CHEMBL3114914)
Show SMILES NC(=NCc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H12F4N2O/c16-12-3-1-2-10(8-12)9-21-14(20)11-4-6-13(7-5-11)22-15(17,18)19/h1-8H,9H2,(H2,20,21)
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2.90n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198692
PNG
(US9221796, 22)
Show SMILES Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2


(Homo sapiens)
BDBM50037705
PNG
(CHEMBL3357790)
Show SMILES C(C1CCN(CC1)C1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-19(7-3-1)18-20-14-16-24(17-15-20)23-12-10-21-8-4-5-9-22(21)11-13-23/h1-9,20,23H,10-18H2
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2.90n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198837
PNG
(US9221796, 117, P-2)
Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O
Show InChI InChI=1S/C23H24F4N2O2/c24-18-11-16(5-6-21(18)30)17-7-9-28(13-19(17)25)20-8-10-29(23(20)31)12-14-1-3-15(4-2-14)22(26)27/h1-6,11,17,19-20,22,30H,7-10,12-13H2/t17-,19+,20+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198663
PNG
(US9221796, 1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50143890
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...)
Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)
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3.09n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198722
PNG
(US9221796, 45, P-2)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F
Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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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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


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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 for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
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


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203311
PNG
(4-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Show InChI InChI=1S/C19H24N4O2/c1-15-3-5-17(6-4-15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)
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3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells


J Med Chem 50: 807-19 (2007)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198732
PNG
(US9221796, 47, P-4)
Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1F
Show InChI InChI=1S/C23H26F2N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-22(23(27)29)26-10-8-19(21(25)14-26)17-4-6-18(28)7-5-17/h2-7,12,19,21-22,28H,8-11,13-14H2,1H3/t19-,21+,22-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM198832
PNG
(US9221796, 114, P-1)
Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O
Show InChI InChI=1S/C23H25F3N2O2/c24-20-14-27(11-9-19(20)16-5-7-18(29)8-6-16)21-10-12-28(23(21)30)13-15-1-3-17(4-2-15)22(25)26/h1-8,19-22,29H,9-14H2/t19-,20+,21+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212684
PNG
(2-(2-methoxy-benzyl)-5-trifluoromethoxy-2,3-dihydr...)
Show SMILES COc1ccccc1CN1Cc2cc(OC(F)(F)F)ccc2C1=N
Show InChI InChI=1S/C17H15F3N2O2/c1-23-15-5-3-2-4-11(15)9-22-10-12-8-13(24-17(18,19)20)6-7-14(12)16(22)21/h2-8,21H,9-10H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to NMDA NR2B receptor


Bioorg Med Chem Lett 17: 3997-4000 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
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