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Compile Data Set for Download or QSAR

Found 614 hits with Last Name = 'merchant' and Initial = 'k'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320375
PNG
((E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)...)
Show SMILES CC(O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+
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0.0700n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108690
PNG
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179929
PNG
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)
Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320373
PNG
((E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...)
Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C21H15F2NO3S/c22-17-9-8-15(20(23)13-17)7-4-14-5-10-18(11-6-14)28(26,27)19-3-1-2-16(12-19)21(24)25/h1-13H,(H2,24,25)/b7-4+
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320376
PNG
((S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)pheny...)
Show SMILES C[C@H](O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+/t16-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169848
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fl...)
Show SMILES Fc1cccc(c1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-2-1-3-17(12-15)27(25,26)19(23)7-10-24(11-8-19)9-6-14-4-5-16(21)13-18(14)22/h1-5,12-13H,6-11H2
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50169847
PNG
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1
Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179929
PNG
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)
Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
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0.320n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169840
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fl...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-6-5-14(17(22)13-15)7-10-24-11-8-19(23,9-12-24)27(25,26)18-4-2-1-3-16(18)21/h1-6,13H,7-12H2
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0.320n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108690
PNG
(1-(2,4-difluorophenethyl)-4-(phenylsulfonyl)piperi...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H21F2NO2S/c20-16-7-6-15(19(21)14-16)8-11-22-12-9-18(10-13-22)25(23,24)17-4-2-1-3-5-17/h1-7,14,18H,8-13H2
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169842
PNG
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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0.390n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169842
PNG
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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0.390n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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0.420n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108699
PNG
(1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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0.420n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179931
PNG
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3
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0.470n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50169846
PNG
(2-(4-Benzenesulfonyl-piperidin-1-yl)-1-(2,4-difluo...)
Show SMILES Fc1ccc(C(=O)CN2CCC(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H19F2NO3S/c20-14-6-7-17(18(21)12-14)19(23)13-22-10-8-16(9-11-22)26(24,25)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2
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0.510n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.610n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50169842
PNG
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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0.630n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169841
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320374
PNG
((E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...)
Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C21H15F2NO3S/c22-17-8-5-15(20(23)13-17)4-1-14-2-9-18(10-3-14)28(26,27)19-11-6-16(7-12-19)21(24)25/h1-13H,(H2,24,25)/b4-1+
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0.650n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320372
PNG
((E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...)
Show SMILES NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+
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0.650n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169844
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-[1...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2ccnn2)c(F)c1
Show InChI InChI=1S/C21H21F3N4O2S/c22-17-2-1-16(20(23)15-17)7-11-27-12-8-21(24,9-13-27)31(29,30)19-5-3-18(4-6-19)28-14-10-25-26-28/h1-6,10,14-15H,7-9,11-13H2
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0.660n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169838
PNG
(4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H20F3NO2S/c20-16-7-6-15(18(21)14-16)8-11-23-12-9-19(22,10-13-23)26(24,25)17-4-2-1-3-5-17/h1-7,14H,8-13H2
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0.680n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179931
PNG
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3
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0.710n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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0.870n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.930n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169847
PNG
(4-(4-Azetidin-1-yl-benzenesulfonyl)-1-[2-(2,4-difl...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)N2CCC2)c(F)c1
Show InChI InChI=1S/C22H25F3N2O2S/c23-18-3-2-17(21(24)16-18)8-13-26-14-9-22(25,10-15-26)30(28,29)20-6-4-19(5-7-20)27-11-1-12-27/h2-7,16H,1,8-15H2
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1n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144865
PNG
(3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320370
PNG
((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
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1.32n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50169839
PNG
(4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2
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1.33n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320371
PNG
(2,4-difluoro-1-(4-(phenylsulfonyl)phenethyl)benzen...)
Show SMILES Fc1ccc(CCc2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H16F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-5,7-8,10-14H,6,9H2
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1.43n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50169845
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144859
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnnn3C)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169845
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2
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2n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50320378
PNG
(8-(4-(2,4-difluorophenethyl)piperidin-1-ylsulfonyl...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)c(F)c1
Show InChI InChI=1S/C22H22F2N2O2S/c23-19-9-8-17(20(24)15-19)7-6-16-10-13-26(14-11-16)29(27,28)21-5-1-3-18-4-2-12-25-22(18)21/h1-5,8-9,12,15-16H,6-7,10-11,13-14H2
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
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