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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50038111   
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))
BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371682
PNG
(CHEMBL270188)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2
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0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371669
PNG
(CHEMBL402164)
Show SMILES Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371681
PNG
(CHEMBL271418)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371670
PNG
(CHEMBL272082)
Show SMILES Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371661
PNG
(CHEMBL271212)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
Show InChI InChI=1S/C18H20FN3/c19-14-7-5-12(6-8-14)17-15-11-20-10-9-16(15)21-18(22-17)13-3-1-2-4-13/h5-8,13,20H,1-4,9-11H2
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2.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371670
PNG
(CHEMBL272082)
Show SMILES Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371664
PNG
(CHEMBL255543)
Show SMILES CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-11(2)17-20-15-8-10-19-9-7-14(15)16(21-17)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371674
PNG
(CHEMBL401509)
Show SMILES COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3O/c1-24-16-8-6-14(7-9-16)19-17-10-12-21-13-11-18(17)22-20(23-19)15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371680
PNG
(CHEMBL408155)
Show SMILES CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-17(2,3)16-20-14-8-9-19-10-13(14)15(21-16)11-4-6-12(18)7-5-11/h4-7,19H,8-10H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371676
PNG
(CHEMBL404581)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-10-8-16(9-11-17)21-18-7-4-12-23-14-19(18)24-20(25-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2
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8.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371665
PNG
(CHEMBL403764)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
Show InChI InChI=1S/C20H18FN3/c21-16-8-6-15(7-9-16)20-17-10-11-22-13-18(17)23-19(24-20)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
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9n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371667
PNG
(CHEMBL408154)
Show SMILES CCC(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1 |w:2.2|
Show InChI InChI=1S/C17H20FN3/c1-3-11(2)17-20-15-8-9-19-10-14(15)16(21-17)12-4-6-13(18)7-5-12/h4-7,11,19H,3,8-10H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371673
PNG
(CHEMBL271318)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCC1
Show InChI InChI=1S/C17H18FN3/c18-13-6-4-11(5-7-13)16-14-10-19-9-8-15(14)20-17(21-16)12-2-1-3-12/h4-7,12,19H,1-3,8-10H2
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371674
PNG
(CHEMBL401509)
Show SMILES COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3O/c1-24-16-8-6-14(7-9-16)19-17-10-12-21-13-11-18(17)22-20(23-19)15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371678
PNG
(CHEMBL271317)
Show SMILES Fc1ccc(Cc2nc3CCNCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H17F2N3/c21-15-5-1-13(2-6-15)11-19-24-18-9-10-23-12-17(18)20(25-19)14-3-7-16(22)8-4-14/h1-8,23H,9-12H2
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13n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371679
PNG
(CHEMBL402357)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C19H22FN3/c20-15-7-5-13(6-8-15)18-16-9-11-21-12-10-17(16)22-19(23-18)14-3-1-2-4-14/h5-8,14,21H,1-4,9-12H2
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13n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371660
PNG
(CHEMBL273173)
Show SMILES CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H24N4/c1-4-22(5-2)18-20-16-10-11-19-12-15(16)17(21-18)14-8-6-13(3)7-9-14/h6-9,19H,4-5,10-12H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371663
PNG
(CHEMBL255802)
Show SMILES N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H22N4/c21-13-14-5-7-15(8-6-14)19-17-9-11-22-12-10-18(17)23-20(24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-12H2
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371664
PNG
(CHEMBL255543)
Show SMILES CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-11(2)17-20-15-8-10-19-9-7-14(15)16(21-17)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371682
PNG
(CHEMBL270188)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371668
PNG
(CHEMBL271419)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCc12
Show InChI InChI=1S/C20H18FN3/c21-16-8-6-15(7-9-16)20-17-13-22-11-10-18(17)23-19(24-20)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371681
PNG
(CHEMBL271418)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2
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22n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371670
PNG
(CHEMBL272082)
Show SMILES Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
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23n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371677
PNG
(CHEMBL257944)
Show SMILES CC(C)Cc1nc2CCNCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-11(2)9-16-20-15-7-8-19-10-14(15)17(21-16)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371682
PNG
(CHEMBL270188)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2
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30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371679
PNG
(CHEMBL402357)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C19H22FN3/c20-15-7-5-13(6-8-15)18-16-9-11-21-12-10-17(16)22-19(23-18)14-3-1-2-4-14/h5-8,14,21H,1-4,9-12H2
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30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371663
PNG
(CHEMBL255802)
Show SMILES N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H22N4/c21-13-14-5-7-15(8-6-14)19-17-9-11-22-12-10-18(17)23-20(24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-12H2
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34n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371681
PNG
(CHEMBL271418)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2
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38n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371669
PNG
(CHEMBL402164)
Show SMILES Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371666
PNG
(CHEMBL271111)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CC1
Show InChI InChI=1S/C16H16FN3/c17-12-5-3-10(4-6-12)15-13-9-18-8-7-14(13)19-16(20-15)11-1-2-11/h3-6,11,18H,1-2,7-9H2
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40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371669
PNG
(CHEMBL402164)
Show SMILES Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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50n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371672
PNG
(CHEMBL404582)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)-c1ccccc1
Show InChI InChI=1S/C19H16FN3/c20-15-8-6-13(7-9-15)18-16-12-21-11-10-17(16)22-19(23-18)14-4-2-1-3-5-14/h1-9,21H,10-12H2
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50n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371660
PNG
(CHEMBL273173)
Show SMILES CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H24N4/c1-4-22(5-2)18-20-16-10-11-19-12-15(16)17(21-18)14-8-6-13(3)7-9-14/h6-9,19H,4-5,10-12H2,1-3H3
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70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2B receptor


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371680
PNG
(CHEMBL408155)
Show SMILES CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-17(2,3)16-20-14-8-9-19-10-13(14)15(21-16)11-4-6-12(18)7-5-11/h4-7,19H,8-10H2,1-3H3
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70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371665
PNG
(CHEMBL403764)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
Show InChI InChI=1S/C20H18FN3/c21-16-8-6-15(7-9-16)20-17-10-11-22-13-18(17)23-19(24-20)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
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75n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371664
PNG
(CHEMBL255543)
Show SMILES CC(C)c1nc2CCNCCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-11(2)17-20-15-8-10-19-9-7-14(15)16(21-17)12-3-5-13(18)6-4-12/h3-6,11,19H,7-10H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371680
PNG
(CHEMBL408155)
Show SMILES CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3/c1-17(2,3)16-20-14-8-9-19-10-13(14)15(21-16)11-4-6-12(18)7-5-11/h4-7,19H,8-10H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371661
PNG
(CHEMBL271212)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
Show InChI InChI=1S/C18H20FN3/c19-14-7-5-12(6-8-14)17-15-11-20-10-9-16(15)21-18(22-17)13-3-1-2-4-13/h5-8,13,20H,1-4,9-11H2
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110n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371674
PNG
(CHEMBL401509)
Show SMILES COc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3O/c1-24-16-8-6-14(7-9-16)19-17-10-12-21-13-11-18(17)22-20(23-19)15-4-2-3-5-15/h6-9,15,21H,2-5,10-13H2,1H3
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120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371671
PNG
(CHEMBL256811)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCCNCc12
Show InChI InChI=1S/C21H20FN3/c22-17-10-8-16(9-11-17)21-18-14-23-12-4-7-19(18)24-20(25-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2
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130n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371676
PNG
(CHEMBL404581)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-10-8-16(9-11-17)21-18-7-4-12-23-14-19(18)24-20(25-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2
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150n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371679
PNG
(CHEMBL402357)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C19H22FN3/c20-15-7-5-13(6-8-15)18-16-9-11-21-12-10-17(16)22-19(23-18)14-3-1-2-4-14/h5-8,14,21H,1-4,9-12H2
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200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371673
PNG
(CHEMBL271318)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCC1
Show InChI InChI=1S/C17H18FN3/c18-13-6-4-11(5-7-13)16-14-10-19-9-8-15(14)20-17(21-16)12-2-1-3-12/h4-7,12,19H,1-3,8-10H2
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210n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371661
PNG
(CHEMBL271212)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
Show InChI InChI=1S/C18H20FN3/c19-14-7-5-12(6-8-14)17-15-11-20-10-9-16(15)21-18(22-17)13-3-1-2-4-13/h5-8,13,20H,1-4,9-11H2
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220n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371675
PNG
(CHEMBL403902)
Show SMILES Cc1nc2CCNCCc2c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3/c1-10-18-14-7-9-17-8-6-13(14)15(19-10)11-2-4-12(16)5-3-11/h2-5,17H,6-9H2,1H3
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270n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371660
PNG
(CHEMBL273173)
Show SMILES CCN(CC)c1nc2CCNCc2c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H24N4/c1-4-22(5-2)18-20-16-10-11-19-12-15(16)17(21-18)14-8-6-13(3)7-9-14/h6-9,19H,4-5,10-12H2,1-3H3
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300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2C receptor


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371665
PNG
(CHEMBL403764)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCc12
Show InChI InChI=1S/C20H18FN3/c21-16-8-6-15(7-9-16)20-17-10-11-22-13-18(17)23-19(24-20)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
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310n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
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