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Compile Data Set for Download or QSAR

Found 1406 hits with Last Name = 'gupta' and Initial = 'a'   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272095
PNG
(4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfon...)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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n/an/a 0.00600n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272095
PNG
(4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfon...)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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n/an/a 0.00600n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272131
PNG
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3
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n/an/a 0.0200n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272129
PNG
(4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonam...)
Show SMILES Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272096
PNG
(3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,1-2H3
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Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272096
PNG
(3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,1-2H3
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n/an/a 0.0200n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272129
PNG
(4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonam...)
Show SMILES Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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n/an/a 0.0200n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272131
PNG
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3
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n/an/a 0.0200n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272125
PNG
(4-(3-p-tolyl-1H-indol-2-yl)benzenesulfonamide | CH...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272125
PNG
(4-(3-p-tolyl-1H-indol-2-yl)benzenesulfonamide | CH...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272105
PNG
(4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24)
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n/an/a 0.0900n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272105
PNG
(4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24)
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n/an/a 0.0900n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50272126
PNG
(2-(4-(methylsulfonyl)phenyl)-3-p-tolyl-1H-indole |...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19NO2S/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)23-22(21)17-11-13-18(14-12-17)26(2,24)25/h3-14,23H,1-2H3
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n/an/a 0.0900n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Eur J Med Chem 43: 1297-303 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.022
BindingDB Entry DOI: 10.7270/Q2CC10F1
More data for this
Ligand-Target Pair
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