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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'diggle' and Initial = 'hj'   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451786
PNG
(CHEMBL423244)
Show SMILES CCOc1ccccc1C\N=C(/N)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-21-17-11-7-6-10-16(17)14-20-18(19)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,19,20)/b13-12+
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451785
PNG
(CHEMBL159675)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15F3N2O/c18-17(19,20)23-15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)/b11-10+
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124914
PNG
(CHEMBL161180 | N-(3,5-Dichloro-benzyl)-4-trifluoro...)
Show SMILES NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
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)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139355
PNG
(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1 |w:9.9,13.14|
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)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139351
PNG
(2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethan...)
Show SMILES CN(C)CCSc1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1 |w:9.9,13.14|
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 Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451789
PNG
(CHEMBL159762)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-14(11-15)12-19-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19)/b10-9+
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451766
PNG
(CHEMBL159761)
Show SMILES Clc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
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1n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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 |w:8.7|
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)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451778
PNG
(CHEMBL159416)
Show SMILES COc1ccccc1C\N=C(/N)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451772
PNG
(CHEMBL159453)
Show SMILES FC(F)(F)c1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15F3N2/c18-17(19,20)15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)/b11-10+
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451769
PNG
(CHEMBL159902)
Show SMILES Clc1cc(Cl)cc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b7-6+
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451784
PNG
(CHEMBL159790)
Show SMILES Clc1cccc(CNC(=N)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C18H15ClN2/c19-17-7-3-4-13(10-17)12-21-18(20)16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12H2,(H2,20,21)
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451779
PNG
(CHEMBL160027)
Show SMILES Fc1ccc(\C=C\C(=N)NCc2ccccc2)cc1F
Show InChI InChI=1S/C16H14F2N2/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20)/b9-7+
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451780
PNG
(CHEMBL161859)
Show SMILES COc1cccc(C\N=C(/N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C17H18N2O/c1-20-16-9-5-8-15(12-16)13-19-17(18)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,18,19)/b11-10+
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1.90n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2A expressing cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451764
PNG
(CHEMBL159425)
Show SMILES Clc1ccc(Cl)c(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-7-8-15(18)13(10-14)11-20-16(19)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b9-6+
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2.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451770
PNG
(CHEMBL350614)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1Cl
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-4-7-13(16(14)18)11-20-15(19)10-9-12-5-2-1-3-6-12/h1-10H,11H2,(H2,19,20)/b10-9+
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3.60n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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 |w:8.7|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139361
PNG
(2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine...)
Show SMILES CN(C)CCSc1cccc(Br)n1
Show InChI InChI=1S/C9H13BrN2S/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451783
PNG
(CHEMBL348727)
Show SMILES Fc1ccc(\C=C\C(=N)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H15FN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
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5.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124908
PNG
(CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139354
PNG
(1-[6-(2-Dimethylamino-ethylsulfanyl)-pyridin-2-yl]...)
Show SMILES CN(C)CCSc1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C15H24N2OS/c1-17(2)11-12-19-14-8-6-7-13(16-14)15(18)9-4-3-5-10-15/h6-8,18H,3-5,9-12H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451777
PNG
(CHEMBL159306)
Show SMILES Clc1ccccc1CNC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)
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7.30n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50139351
PNG
(2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethan...)
Show SMILES CN(C)CCSc1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
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8.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124892
PNG
((E)-N-Benzyl-3-phenyl-acrylamidine | CHEMBL158874)
Show SMILES N=C(NCc1ccccc1)C=Cc1ccccc1 |w:11.12|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50124892
PNG
((E)-N-Benzyl-3-phenyl-acrylamidine | CHEMBL158874)
Show SMILES N=C(NCc1ccccc1)C=Cc1ccccc1 |w:11.12|
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 Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
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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11n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139357
PNG
(CHEMBL345803 | Dimethyl-[2-(4-phenyl-thiazol-2-yls...)
Show SMILES CN(C)CCSc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H16N2S2/c1-15(2)8-9-16-13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451782
PNG
(CHEMBL159894)
Show SMILES Clc1cccc(\C=C\C(=N)NCc2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-13(11-15)9-10-16(18)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,19)/b10-9+
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12n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124918
PNG
(3,4-Dichloro-N-(2-trifluoromethoxy-benzyl)-benzami...)
Show SMILES NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |w:2.2|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50139355
PNG
(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124919
PNG
(3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine | CHE...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |w:2.2|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451787
PNG
(CHEMBL161225)
Show SMILES N=C(NCc1ccccc1)\C=C\C1CCCCC1
Show InChI InChI=1S/C16H22N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,17,18)/b12-11+
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19n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124921
PNG
(CHEMBL159558 | N-(3-Chloro-benzyl)-4-trifluorometh...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F |w:2.2|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139352
PNG
(CHEMBL161203 | [2-(4-tert-Butyl-thiazol-2-ylsulfan...)
Show SMILES CN(C)CCSc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124917
PNG
(CHEMBL349727 | N-(3-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139356
PNG
(CHEMBL350166 | Dimethyl-[2-(4-pyridin-4-yl-thiazol...)
Show SMILES CN(C)CCSc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C12H15N3S2/c1-15(2)7-8-16-12-14-11(9-17-12)10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451775
PNG
(CHEMBL158510)
Show SMILES FC(F)(F)c1cccc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C17H15F3N2/c18-17(19,20)15-8-4-7-14(11-15)12-22-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,21,22)/b10-9+
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31n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451768
PNG
(CHEMBL161772)
Show SMILES N=C(NCc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)
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32n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50139361
PNG
(2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine...)
Show SMILES CN(C)CCSc1cccc(Br)n1
Show InChI InChI=1S/C9H13BrN2S/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50139354
PNG
(1-[6-(2-Dimethylamino-ethylsulfanyl)-pyridin-2-yl]...)
Show SMILES CN(C)CCSc1cccc(n1)C1(O)CCCCC1
Show InChI InChI=1S/C15H24N2OS/c1-17(2)11-12-19-14-8-6-7-13(16-14)15(18)9-4-3-5-10-15/h6-8,18H,3-5,9-12H2,1-2H3
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41n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451767
PNG
(CHEMBL161332)
Show SMILES Clc1ccc(\C=C\C(=N)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
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52n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451781
PNG
(CHEMBL162415 | N-Phenethyl-Benzamidine)
Show SMILES N=C(NCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H16N2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17)
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55n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124920
PNG
(CHEMBL421976 | N-(2-Chloro-benzyl)-4-trifluorometh...)
Show SMILES NC(=NCc1ccccc1Cl)c1ccc(cc1)C(F)(F)F |w:2.2|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124922
PNG
(4-Chloro-N-(3-chloro-benzyl)-benzamidine | CHEMBL1...)
Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)cc1 |w:2.2|
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


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
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
Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay


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


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
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