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Compile Data Set for Download or QSAR

Found 750 hits with Last Name = 'liverton' and Initial = 'nj'   
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)
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)

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)

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)

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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203310
PNG
(4-ethylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pip...)
Show SMILES CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23)
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3.70n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124923
PNG
(CHEMBL162080 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...)
Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C17H17F3N2/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)
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3.90n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
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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5.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203315
PNG
(4-isopropylbenzyl 4-[(2-pyrimidinylamino)methyl]-1...)
Show SMILES CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Show InChI InChI=1S/C21H28N4O2/c1-16(2)19-6-4-18(5-7-19)15-27-21(26)25-12-8-17(9-13-25)14-24-20-22-10-3-11-23-20/h3-7,10-11,16-17H,8-9,12-15H2,1-2H3,(H,22,23,24)
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7.80n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212687
PNG
(2-(3-chloro-benzyl)-5-trifluoromethoxy-2,3-dihydro...)
Show SMILES FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc(Cl)c3)Cc2c1
Show InChI InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-10(6-12)8-22-9-11-7-13(23-16(18,19)20)4-5-14(11)15(22)21/h1-7,21H,8-9H2
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8n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124892
PNG
((E)-N-Benzyl-3-phenyl-acrylamidine | CHEMBL158874)
Show SMILES N=C(NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18)
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9n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203305
PNG
(CHEMBL219060 | benzyl 4-[(pyridin-4-ylamino)methyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1
Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)
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10.6n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124918
PNG
(3,4-Dichloro-N-(2-trifluoromethoxy-benzyl)-benzami...)
Show SMILES NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
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12n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203300
PNG
(CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1
Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21)
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14n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124919
PNG
(3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine | CHE...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)
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16n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203323
PNG
(4-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Fc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Show InChI InChI=1S/C18H21FN4O2/c19-16-4-2-15(3-5-16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-1-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)
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18n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203308
PNG
(2-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Fc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C18H21FN4O2/c19-16-5-2-1-4-15(16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-3-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)
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18n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124921
PNG
(CHEMBL159558 | N-(3-Chloro-benzyl)-4-trifluorometh...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N2/c16-13-3-1-2-10(8-13)9-21-14(20)11-4-6-12(7-5-11)15(17,18)19/h1-8H,9H2,(H2,20,21)
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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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124917
PNG
(CHEMBL349727 | N-(3-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-4-2-3-11(9-14)10-21-15(20)12-5-7-13(8-6-12)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
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23n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203325
PNG
(2,3-dihydro-1H-inden-2-yl 4-[(pyrimidin-2-ylamino)...)
Show SMILES O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C20H24N4O2/c25-20(26-18-12-16-4-1-2-5-17(16)13-18)24-10-6-15(7-11-24)14-23-19-21-8-3-9-22-19/h1-5,8-9,15,18H,6-7,10-14H2,(H,21,22,23)
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23n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203301
PNG
(CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-5-2-1-3-6-16)22-11-7-15(8-12-22)13-21-17-19-9-4-10-20-17/h1-6,9-10,15H,7-8,11-14H2,(H,19,20,21)
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23n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203313
PNG
(CHEMBL218017 | benzyl 4-[(pyridin-2-ylamino)methyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1
Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21)
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37n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124920
PNG
(CHEMBL421976 | N-(2-Chloro-benzyl)-4-trifluorometh...)
Show SMILES NC(=NCc1ccccc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3N2/c16-13-4-2-1-3-11(13)9-21-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2,(H2,20,21)
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56n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124922
PNG
(4-Chloro-N-(3-chloro-benzyl)-benzamidine | CHEMBL1...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12Cl2N2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18)
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63n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212681
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(3-chlor...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cccc(Cl)c1
Show InChI InChI=1S/C16H11Cl2F3N2O/c17-11-3-1-2-9(6-11)13-8-22-15(23-13)10-4-5-14(12(18)7-10)24-16(19,20)21/h1-7,13H,8H2,(H,22,23)
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66n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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72n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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72n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212682
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-metho...)
Show SMILES COc1ccccc1C1CNC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C17H14ClF3N2O2/c1-24-14-5-3-2-4-11(14)13-9-22-16(23-13)10-6-7-15(12(18)8-10)25-17(19,20)21/h2-8,13H,9H2,1H3,(H,22,23)
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75n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203302
PNG
(CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1
Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)
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75n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50070788
PNG
(CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1
Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)
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93n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124915
PNG
(CHEMBL161421 | N-Benzyl-4-trifluoromethoxy-benzami...)
Show SMILES NC(=NCc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)21-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)
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120n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203304
PNG
(CHEMBL218547 | benzyl 4-[(1,3-thiazol-2-ylamino)me...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1
Show InChI InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)
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122n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203312
PNG
(3-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Fc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1
Show InChI InChI=1S/C18H21FN4O2/c19-16-4-1-3-15(11-16)13-25-18(24)23-9-5-14(6-10-23)12-22-17-20-7-2-8-21-17/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,20,21,22)
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150n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203303
PNG
(CHEMBL218067 | benzyl 4-[(pyridin-3-ylamino)methyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1
Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2
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180n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203306
PNG
(CHEMBL219113 | benzyl 4-[(1,3,4-thiadiazol-2-ylami...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1
Show InChI InChI=1S/C16H20N4O2S/c21-16(22-11-14-4-2-1-3-5-14)20-8-6-13(7-9-20)10-17-15-19-18-12-23-15/h1-5,12-13H,6-11H2,(H,17,19)
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190n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203320
PNG
(3-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Cc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1
Show InChI InChI=1S/C19H24N4O2/c1-15-4-2-5-17(12-15)14-25-19(24)23-10-6-16(7-11-23)13-22-18-20-8-3-9-21-18/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H,20,21,22)
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206n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203317
PNG
(CHEMBL218546 | benzyl 4-(1H-benzimidazol-2-ylmethy...)
Show SMILES O=C(OCc1ccccc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C21H23N3O2/c25-21(26-15-17-6-2-1-3-7-17)24-12-10-16(11-13-24)14-20-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2,(H,22,23)
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220n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212680
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(3,5-dic...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N2O/c17-10-3-9(4-11(18)6-10)13-7-23-15(24-13)8-1-2-14(12(19)5-8)25-16(20,21)22/h1-6,13H,7H2,(H,23,24)
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223n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203321
PNG
(2-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...)
Show SMILES Cc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-15-5-2-3-6-17(15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-4-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)
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227n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203328
PNG
(CHEMBL219114 | phenethyl 4-[(2-pyrimidinylamino)me...)
Show SMILES O=C(OCCc1ccccc1)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C19H24N4O2/c24-19(25-14-9-16-5-2-1-3-6-16)23-12-7-17(8-13-23)15-22-18-20-10-4-11-21-18/h1-6,10-11,17H,7-9,12-15H2,(H,20,21,22)
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227n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203314
PNG
(CHEMBL218075 | N-{[1-(3-phenylpropyl)piperidin-4-y...)
Show SMILES C(CN1CCC(CNc2ncccn2)CC1)Cc1ccccc1
Show InChI InChI=1S/C19H26N4/c1-2-6-17(7-3-1)8-4-13-23-14-9-18(10-15-23)16-22-19-20-11-5-12-21-19/h1-3,5-7,11-12,18H,4,8-10,13-16H2,(H,20,21,22)
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PubMed
266n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212683
PNG
(5-(3-chlorophenyl)-2-(4-(trifluoromethoxy)phenyl)-...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C1=NC(CN1)c1cccc(Cl)c1
Show InChI InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-11(8-12)14-9-21-15(22-14)10-4-6-13(7-5-10)23-16(18,19)20/h1-8,14H,9H2,(H,21,22)
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296n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203330
PNG
(CHEMBL217955 | N-{[1-(3-phenylpropanoyl)piperidin-...)
Show SMILES O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1
Show InChI InChI=1S/C19H24N4O/c24-18(8-7-16-5-2-1-3-6-16)23-13-9-17(10-14-23)15-22-19-20-11-4-12-21-19/h1-6,11-12,17H,7-10,13-15H2,(H,20,21,22)
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310n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212690
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-(trif...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H11ClF6N2O/c18-12-7-9(5-6-14(12)27-17(22,23)24)15-25-8-13(26-15)10-3-1-2-4-11(10)16(19,20)21/h1-7,13H,8H2,(H,25,26)
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353n/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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50301371
PNG
(10-oxo-3-phenyl-10,11-dihydro-5H-benzo[e]pyrido[2,...)
Show SMILES O=C1Nc2ncc(cc2Cc2cccc(C#N)c12)-c1ccccc1
Show InChI InChI=1S/C20H13N3O/c21-11-15-8-4-7-14-9-16-10-17(13-5-2-1-3-6-13)12-22-19(16)23-20(24)18(14)15/h1-8,10,12H,9H2,(H,22,23,24)
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431n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5132-5 (2009)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50203319
PNG
(4-methoxybenzyl 4-[(2-pyrimidinylamino)methyl]-1-p...)
Show SMILES COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
Show InChI InChI=1S/C19H24N4O3/c1-25-17-5-3-16(4-6-17)14-26-19(24)23-11-7-15(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,20,21,22)
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460n/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)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50124926
PNG
(CHEMBL159530 | N-Benzyl-4-trifluoromethyl-benzamid...)
Show SMILES NC(=NCc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)
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480n/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


Citation and Details
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens)
BDBM50212679
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-(trif...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11ClF6N2O2/c18-11-7-9(5-6-14(11)28-17(22,23)24)15-25-8-12(26-15)10-3-1-2-4-13(10)27-16(19,20)21/h1-7,12H,8H2,(H,25,26)
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505n/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)

More data for this
Ligand-Target Pair
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