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Compile Data Set for Download or QSAR

Found 348 hits with Last Name = 'blurton' and Initial = 'p'   
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))
BDBM50099273
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...)
Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1
Show InChI InChI=1S/C19H18F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2/t15?,16-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
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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0.100n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
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 for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148325
PNG
(2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26|
Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108689
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148330
PNG
(2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
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 |r|
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 and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
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 for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108688
PNG
(1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2...)
Show SMILES COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
Show InChI InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108688
PNG
(1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2...)
Show SMILES COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
Show InChI InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148331
PNG
(2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O |c:21|
Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2
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0.380n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50036756
PNG
(1'-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,...)
Show SMILES OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108701
PNG
(1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
Show InChI InChI=1S/C21H23F2NO2S/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)27(21,25)26/h1-6,15H,7-14H2
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0.410n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
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 for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148324
PNG
(2-(4-Chloro-phenyl)-2,5a,6,7,8,8a-hexahydro-5H-cyc...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCC3N=Cc2c1=O |c:17|
Show InChI InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,18H,1-3H2
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0.440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148327
PNG
(2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(CC4CC4)CCC3N=Cc2c1=O |c:23|
Show InChI InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,22H,1-2,7-8,10-11H2
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0.450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108696
PNG
(3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES NC(=O)c1cccc(c1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H22F2N2O3S/c21-16-5-4-14(19(22)13-16)6-9-24-10-7-17(8-11-24)28(26,27)18-3-1-2-15(12-18)20(23)25/h1-5,12-13,17H,6-11H2,(H2,23,25)
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108705
PNG
(1-(4-Fluorophenyl)-2-[4-(phenylsulfonyl)-1-piperid...)
Show SMILES Fc1ccc(cc1)C(=O)CN1CCC(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20FNO3S/c20-16-8-6-15(7-9-16)19(22)14-21-12-10-18(11-13-21)25(23,24)17-4-2-1-3-5-17/h1-9,18H,10-14H2
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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 for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108706
PNG
(4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H22F2N2O3S/c21-16-4-1-14(19(22)13-16)7-10-24-11-8-18(9-12-24)28(26,27)17-5-2-15(3-6-17)20(23)25/h1-6,13,18H,7-12H2,(H2,23,25)
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0.520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108694
PNG
(2-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccccc2C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-17-6-5-15(19(22)13-17)7-10-24-11-8-18(9-12-24)27(25,26)20-4-2-1-3-16(20)14-23/h1-6,13,18H,7-12H2
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0.530n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108707
PNG
(3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-17-5-4-16(20(22)13-17)6-9-24-10-7-18(8-11-24)27(25,26)19-3-1-2-15(12-19)14-23/h1-5,12-13,18H,6-11H2
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0.540n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148325
PNG
(2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26|
Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2
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0.560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148317
PNG
(2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccccn1
Show InChI InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,18H,1-2,5-6H2
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0.570n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036756
PNG
(1'-phenethylspiro[1,2,3,4-tetrahydronaphthalene-2,...)
Show SMILES OC1c2ccccc2CCC11CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c24-21-20-9-5-4-8-19(20)10-12-22(21)13-16-23(17-14-22)15-11-18-6-2-1-3-7-18/h1-9,21,24H,10-17H2
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0.590n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108701
PNG
(1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
Show InChI InChI=1S/C21H23F2NO2S/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)27(21,25)26/h1-6,15H,7-14H2
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0.610n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148330
PNG
(2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.650n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108707
PNG
(3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-17-5-4-16(20(22)13-17)6-9-24-10-7-18(8-11-24)27(25,26)19-3-1-2-15(12-19)14-23/h1-5,12-13,18H,6-11H2
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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 for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108700
PNG
(1'-(2,4-difluorophenethyl)-6-methoxyspiro[3,4-dihy...)
Show SMILES COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1
Show InChI InChI=1S/C22H25F2NO2/c1-26-19-4-5-21-17(14-19)6-8-22(27-21)9-12-25(13-10-22)11-7-16-2-3-18(23)15-20(16)24/h2-5,14-15H,6-13H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108697
PNG
(1'-(2,4-difluorophenethyl)spiro[3,4-dihydro-2H-chr...)
Show SMILES Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2O3)c(F)c1
Show InChI InChI=1S/C21H23F2NO/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)25-21/h1-6,15H,7-14H2
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0.720n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.770n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148331
PNG
(2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O |c:21|
Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2
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0.890n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cells


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148322
PNG
(2-(4-Difluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydro...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,21H,1-4H2
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148324
PNG
(2-(4-Chloro-phenyl)-2,5a,6,7,8,8a-hexahydro-5H-cyc...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCC3N=Cc2c1=O |c:17|
Show InChI InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,18H,1-3H2
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148328
PNG
(2-(4-Cyclopropoxy-phenyl)-2,5,6,7,8,9-hexahydro-py...)
Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CC2)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,21H,1-4,9-10H2
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148317
PNG
(2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccccn1
Show InChI InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,18H,1-2,5-6H2
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148321
PNG
(2-(4-Chloro-phenyl)-2,5a,6,7,8,9,10,10a-octahydro-...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCCCC3N=Cc2c1=O |c:19|
Show InChI InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,20H,1-5H2
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108706
PNG
(4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES NC(=O)c1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H22F2N2O3S/c21-16-4-1-14(19(22)13-16)7-10-24-11-8-18(9-12-24)28(26,27)17-5-2-15(3-6-17)20(23)25/h1-6,13,18H,7-12H2,(H2,23,25)
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108703
PNG
(1-(2-Phenylethyl)-4-(phenylsulfonyl)piperidine | 4...)
Show SMILES O=S(=O)(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
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1.20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148319
PNG
(2-(4-Cyclobutoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyr...)
Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,22H,1-7H2
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108689
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-15-2-5-17(6-3-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-4-16(21)13-19(14)22/h1-6,13,18H,7-12H2
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108711
PNG
(4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]...)
Show SMILES Fc1ccc(CCN2CCC(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1
Show InChI InChI=1S/C20H20F2N2O2S/c21-17-4-3-16(20(22)13-17)7-10-24-11-8-19(9-12-24)27(25,26)18-5-1-15(14-23)2-6-18/h1-6,13,19H,7-12H2
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148318
PNG
(2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O |c:21|
Show InChI InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108700
PNG
(1'-(2,4-difluorophenethyl)-6-methoxyspiro[3,4-dihy...)
Show SMILES COc1ccc2OC3(CCN(CCc4ccc(F)cc4F)CC3)CCc2c1
Show InChI InChI=1S/C22H25F2NO2/c1-26-19-4-5-21-17(14-19)6-8-22(27-21)9-12-25(13-10-22)11-7-16-2-3-18(23)15-20(16)24/h2-5,14-15H,6-13H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50108688
PNG
(1-(4-fluorophenyl)-4-[6-methoxyspiro[3,4-dihydro-2...)
Show SMILES COc1ccc2OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)CCc2c1
Show InChI InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
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2n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148328
PNG
(2-(4-Cyclopropoxy-phenyl)-2,5,6,7,8,9-hexahydro-py...)
Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CC2)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,21H,1-4,9-10H2
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148322
PNG
(2-(4-Difluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydro...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,21H,1-4H2
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2.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
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