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Compile Data Set for Download or QSAR

Found 262 hits with Last Name = 'johansson' and Initial = 'mj'   
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


(Rattus norvegicus (Rat))
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344250
PNG
(CHEMBL1779003 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3
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12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344232
PNG
(1-cyclopropyl-N-((6-(4-fluoro-2-methoxyphenyl)pyra...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-16-6-12(17)4-5-14(16)15-10-19-9-13(20-15)8-18-7-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3
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27n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344251
PNG
(CHEMBL1779004 | N-((4'-fluoro-2'-methoxybiphenyl-3...)
Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
Show InChI InChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3
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48n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344233
PNG
(CHEMBL1778866 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
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53n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344234
PNG
(CHEMBL1778867 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3
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54n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344252
PNG
(CHEMBL1779005 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3
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66n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344259
PNG
(CHEMBL1779012 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
Show InChI InChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)
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80n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344254
PNG
(CHEMBL1779007 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3
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112n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344260
PNG
(CHEMBL1779013 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
Show InChI InChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)
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116n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344241
PNG
(CHEMBL1778994 | N-((6-(2,3-difluorophenyl)pyrazin-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CCC2)n1
Show InChI InChI=1S/C15H15F2N3/c16-13-6-2-5-12(15(13)17)14-9-18-7-11(20-14)8-19-10-3-1-4-10/h2,5-7,9-10,19H,1,3-4,8H2
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186n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344235
PNG
(CHEMBL1778868 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COCCNCc1cncc(n1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3
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214n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344236
PNG
(CHEMBL1778869 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCC(C)C)n1
Show InChI InChI=1S/C16H20FN3O/c1-11(2)7-18-8-13-9-19-10-15(20-13)14-5-4-12(17)6-16(14)21-3/h4-6,9-11,18H,7-8H2,1-3H3
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217n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344237
PNG
(CHEMBL1778870 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES CCNCc1cncc(n1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3
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255n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344255
PNG
(CHEMBL1779008 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(C)C)c1
Show InChI InChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3
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266n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344262
PNG
(CHEMBL1779015 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
Show InChI InChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23)
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268n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344264
PNG
(CHEMBL1779016 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
Show InChI InChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
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340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344242
PNG
(1-cyclopropyl-N-((6-(2,3-difluorophenyl)pyrazin-2-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C15H15F2N3/c16-13-3-1-2-12(15(13)17)14-9-19-8-11(20-14)7-18-6-10-4-5-10/h1-3,8-10,18H,4-7H2
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341n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344265
PNG
(3-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methy...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N(C)C)c1
Show InChI InChI=1S/C16H18FN3O2/c1-20(2)16(21)19-9-11-6-12(10-18-8-11)14-5-4-13(17)7-15(14)22-3/h4-8,10H,9H2,1-3H3,(H,19,21)
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420n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344238
PNG
(CHEMBL1778991 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3
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429n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344256
PNG
(3-(4-fluoro-2-methoxyphenyl)-5-(pyrrolidin-2-yl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(c1)C1CCCN1
Show InChI InChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3
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440n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344261
PNG
(CHEMBL1779014 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24)
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450n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344257
PNG
(CHEMBL1779010 | N-benzyl-5-(4-fluoro-2-methoxyphen...)
Show SMILES COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
Show InChI InChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3
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457n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344266
PNG
(CHEMBL1779018 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES CCCC(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
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468n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344267
PNG
(CHEMBL1779019 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
Show InChI InChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21)
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595n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344244
PNG
(1-cyclopropyl-N-((6-(2-fluoro-3-methoxyphenyl)pyra...)
Show SMILES COc1cccc(c1F)-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3
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602n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344239
PNG
((S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC[C@@H]2CCCO2)n1 |r|
Show InChI InChI=1S/C17H20FN3O2/c1-22-17-7-12(18)4-5-15(17)16-11-20-9-13(21-16)8-19-10-14-3-2-6-23-14/h4-5,7,9,11,14,19H,2-3,6,8,10H2,1H3/t14-/m0/s1
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610n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344258
PNG
(5-(4-fluoro-2-methoxyphenyl)-N-(tetrahydro-2H-pyra...)
Show SMILES COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1
Show InChI InChI=1S/C17H19FN2O2/c1-21-17-8-13(18)4-5-16(17)12-7-15(10-19-9-12)20-14-3-2-6-22-11-14/h4-5,7-10,14,20H,2-3,6,11H2,1H3
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705n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344268
PNG
(CHEMBL1779020 | ethyl 2-((5-(4-fluoro-2-methoxyphe...)
Show SMILES CCOC(=O)C(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21)
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778n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344246
PNG
(3-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...)
Show SMILES N#Cc1cccc(c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H18N4/c18-9-13-4-3-5-14(8-13)17-12-19-10-16(21-17)11-20-15-6-1-2-7-15/h3-5,8,10,12,15,20H,1-2,6-7,11H2
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1.55E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344247
PNG
(4-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...)
Show SMILES N#Cc1ccc(cc1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H18N4/c18-9-13-5-7-14(8-6-13)17-12-19-10-16(21-17)11-20-15-3-1-2-4-15/h5-8,10,12,15,20H,1-4,11H2
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1.57E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344248
PNG
(CHEMBL1779001 | N-((6-(2,4-dimethoxyphenyl)pyrazin...)
Show SMILES COc1ccc(c(OC)c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H23N3O2/c1-22-15-7-8-16(18(9-15)23-2)17-12-19-10-14(21-17)11-20-13-5-3-4-6-13/h7-10,12-13,20H,3-6,11H2,1-2H3
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1.69E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344243
PNG
(CHEMBL1778996 | N-((6-(2,3-difluorophenyl)pyrazin-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C14H13F2N3/c15-12-3-1-2-11(14(12)16)13-8-17-6-10(19-13)7-18-9-4-5-9/h1-3,6,8-9,18H,4-5,7H2
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2.98E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344240
PNG
(1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-(py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCc2ccccn2)n1
Show InChI InChI=1S/C18H17FN4O/c1-24-18-8-13(19)5-6-16(18)17-12-21-11-15(23-17)10-20-9-14-4-2-3-7-22-14/h2-8,11-12,20H,9-10H2,1H3
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3.57E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344245
PNG
(CHEMBL1778998 | N-((6-(2-fluoro-3-methoxyphenyl)py...)
Show SMILES COc1cccc(c1F)-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3
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5.70E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344253
PNG
(CHEMBL1779006 | N-((2-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-14(19)6-7-16(18)17-10-13(8-9-20-17)12-21-15-4-2-3-5-15/h6-11,15,21H,2-5,12H2,1H3
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8.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344249
PNG
(CHEMBL1779002 | N-(3-(6-((cyclopentylamino)methyl)...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H22N4O/c1-13(23)21-16-8-4-5-14(9-16)18-12-19-10-17(22-18)11-20-15-6-2-3-7-15/h4-5,8-10,12,15,20H,2-3,6-7,11H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125449
PNG
(3-(2,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(c(Cl)c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22Cl2N2O/c24-18-10-11-19(21(25)15-18)20-9-6-14-27(23(20)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125466
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-[2-(3-hydroxy-pyrr...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O3/c1-30-23-10-9-18(25)14-21(23)20-8-5-12-27(24(20)29)22(17-6-3-2-4-7-17)16-26-13-11-19(28)15-26/h2-10,12,14,19,22,28H,11,13,15-16H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125454
PNG
(3-(2,5-Dimethoxy-phenyl)-1-[2-(3-hydroxy-pyrrolidi...)
Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O4/c1-30-20-10-11-24(31-2)22(15-20)21-9-6-13-27(25(21)29)23(18-7-4-3-5-8-18)17-26-14-12-19(28)16-26/h3-11,13,15,19,23,28H,12,14,16-17H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125451
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1
Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-10-8-17(9-11-20)21-7-4-13-29(23(21)31)22(18-5-2-1-3-6-18)16-28-14-12-19(30)15-28/h1-11,13,19,22,30H,12,14-16H2
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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125460
PNG
(3-(4-Fluoro-3-methyl-phenyl)-1-[2-(3-hydroxy-pyrro...)
Show SMILES Cc1cc(ccc1F)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O2/c1-17-14-19(9-10-22(17)25)21-8-5-12-27(24(21)29)23(18-6-3-2-4-7-18)16-26-13-11-20(28)15-26/h2-10,12,14,20,23,28H,11,13,15-16H2,1H3
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n/an/a 8.40n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108448
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125457
PNG
(3-(3-Hydroxymethyl-phenyl)-1-[2-(3-hydroxy-pyrroli...)
Show SMILES OCc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O3/c27-17-18-6-4-9-20(14-18)22-10-5-12-26(24(22)29)23(19-7-2-1-3-8-19)16-25-13-11-21(28)15-25/h1-10,12,14,21,23,27-28H,11,13,15-17H2
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n/an/a 9.60n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125463
PNG
(3-(2,6-Dimethoxy-phenyl)-1-[2-(3-hydroxy-pyrrolidi...)
Show SMILES COc1cccc(OC)c1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O |(3.61,-3.48,;4.94,-4.26,;4.94,-5.81,;3.61,-6.58,;3.61,-8.14,;4.94,-8.91,;6.27,-8.14,;7.61,-8.89,;7.61,-10.44,;6.27,-6.58,;7.61,-5.81,;7.61,-4.26,;8.96,-3.49,;10.3,-4.26,;10.3,-5.81,;11.63,-6.58,;12.96,-5.81,;14.32,-6.58,;14.48,-8.12,;16,-8.43,;16.77,-7.09,;18.29,-6.93,;15.72,-5.95,;11.63,-8.12,;10.3,-8.89,;10.3,-10.45,;11.63,-11.22,;12.96,-10.45,;12.96,-8.89,;8.96,-6.58,;8.94,-8.12,)|
Show InChI InChI=1S/C25H28N2O4/c1-30-22-11-6-12-23(31-2)24(22)20-10-7-14-27(25(20)29)21(18-8-4-3-5-9-18)17-26-15-13-19(28)16-26/h3-12,14,19,21,28H,13,15-17H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in human HuTu80 cells


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399710
PNG
(CHEMBL2178953)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
Show InChI InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in human adipose tissue assessed as reduction in triacylglycerol synthesis


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125444
PNG
(2-{1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3C=O)c2=O)C1
Show InChI InChI=1S/C24H24N2O3/c27-17-19-9-4-5-10-21(19)22-11-6-13-26(24(22)29)23(18-7-2-1-3-8-18)16-25-14-12-20(28)15-25/h1-11,13,17,20,23,28H,12,14-16H2
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50125439
PNG
(3-(4-Acetyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-y...)
Show SMILES CC(=O)c1ccc(cc1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H26N2O3/c1-18(28)19-9-11-20(12-10-19)23-8-5-14-27(25(23)30)24(21-6-3-2-4-7-21)17-26-15-13-22(29)16-26/h2-12,14,22,24,29H,13,15-17H2,1H3
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
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