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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'mccauley' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, NMDA 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
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
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
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
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165996
PNG
(CHEMBL3797298)
Show SMILES CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C16H19N3OS2/c1-2-10-7-17-15(20)13-12(10)14(11-5-6-18-19-11)22-16(13)21-8-9-3-4-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)/t10-/s2
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165997
PNG
(CHEMBL3797431)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
Show InChI InChI=1/C15H19N3OS2/c1-3-7-20-15-12-11(9(4-2)8-16-14(12)19)13(21-15)10-5-6-17-18-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)/t9-/s2
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30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165998
PNG
(CHEMBL3800405)
Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/s2
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34n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165999
PNG
(CHEMBL3797869)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C14H17N3OS2/c1-3-6-19-14-11-10(8(2)7-15-13(11)18)12(20-14)9-4-5-16-17-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)/t8-/s2
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39n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166012
PNG
(CHEMBL3800129)
Show SMILES CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C13H15N3OS2/c1-3-7-6-14-12(17)10-9(7)11(19-13(10)18-2)8-4-5-15-16-8/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,15,16)/t7-/s2
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46n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166070
PNG
(CHEMBL3798994)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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53n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165996
PNG
(CHEMBL3797298)
Show SMILES CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C16H19N3OS2/c1-2-10-7-17-15(20)13-12(10)14(11-5-6-18-19-11)22-16(13)21-8-9-3-4-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)/t10-/s2
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58n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165978
PNG
(CHEMBL3800284)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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64n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50212681
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(3-chlor...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1cccc(Cl)c1 |t:13|
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)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165997
PNG
(CHEMBL3797431)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
Show InChI InChI=1/C15H19N3OS2/c1-3-7-20-15-12-11(9(4-2)8-16-14(12)19)13(21-15)10-5-6-17-18-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)/t9-/s2
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68n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
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
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 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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50212682
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-metho...)
Show SMILES COc1ccccc1C1CNC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:12|
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)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166012
PNG
(CHEMBL3800129)
Show SMILES CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C13H15N3OS2/c1-3-7-6-14-12(17)10-9(7)11(19-13(10)18-2)8-4-5-15-16-8/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,15,16)/t7-/s2
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82n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165998
PNG
(CHEMBL3800405)
Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
Show InChI InChI=1/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/s2
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83n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165999
PNG
(CHEMBL3797869)
Show SMILES CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
Show InChI InChI=1/C14H17N3OS2/c1-3-6-19-14-11-10(8(2)7-15-13(11)18)12(20-14)9-4-5-16-17-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)/t8-/s2
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84n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166072
PNG
(CHEMBL3800174)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1ccc(F)cc1
Show InChI InChI=1/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22)
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92n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165993
PNG
(CHEMBL3800282)
Show SMILES CC1(C)Cc2c(sc(SC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C18H22N2OS2/c1-18(2)9-12-15(14(21)10-18)17(22-11-5-3-4-6-11)23-16(12)13-7-8-19-20-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)
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94n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165986
PNG
(CHEMBL3798511)
Show SMILES CC1(C)Cc2c(sc(NC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
Show InChI InChI=1S/C18H23N3OS/c1-18(2)9-12-15(14(22)10-18)17(20-11-5-3-4-6-11)23-16(12)13-7-8-19-21-13/h7-8,11,20H,3-6,9-10H2,1-2H3,(H,19,21)
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97n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50166070
PNG
(CHEMBL3798994)
Show SMILES CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/s2
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120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124915
PNG
(CHEMBL161421 | N-Benzyl-4-trifluoromethoxy-benzami...)
Show SMILES NC(=NCc1ccccc1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
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


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))
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)


Article DOI: 10.1021/jm060983w
BindingDB Entry DOI: 10.7270/Q2FX7944
More data for this
Ligand-Target Pair
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