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PubMed code 25703249

Compile data set for download or QSAR
Found 132 hits of Enzyme Inhibition Constant Data   
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
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065035
PNG
(CHEMBL3402657)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065036
PNG
(CHEMBL3402656)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM86032
PNG
(trans-H2-PAT(-) | trans-PAT)
Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065014
PNG
(CHEMBL3402677)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065024
PNG
(CHEMBL3402667)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065018
PNG
(CHEMBL3402673)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065040
PNG
(CHEMBL3402682)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
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5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065025
PNG
(CHEMBL3402666)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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6n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065036
PNG
(CHEMBL3402656)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1
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7n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065018
PNG
(CHEMBL3402673)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065023
PNG
(CHEMBL3402668)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065026
PNG
(CHEMBL3402665)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065016
PNG
(CHEMBL3402675)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065020
PNG
(CHEMBL3402671)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065022
PNG
(CHEMBL3402669)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065016
PNG
(CHEMBL3402675)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065038
PNG
(CHEMBL3402680)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1
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10n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065018
PNG
(CHEMBL3402673)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065036
PNG
(CHEMBL3402656)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1
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20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065021
PNG
(CHEMBL3402670)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065036
PNG
(CHEMBL3402656)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1
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20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065016
PNG
(CHEMBL3402675)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065035
PNG
(CHEMBL3402657)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM86032
PNG
(trans-H2-PAT(-) | trans-PAT)
Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065028
PNG
(CHEMBL3402664)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065018
PNG
(CHEMBL3402673)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065038
PNG
(CHEMBL3402680)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065038
PNG
(CHEMBL3402680)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1
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30n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065037
PNG
(CHEMBL3402655)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m0./s1
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40n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065017
PNG
(CHEMBL3402674)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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40n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065016
PNG
(CHEMBL3402675)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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40n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065014
PNG
(CHEMBL3402677)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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43n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065040
PNG
(CHEMBL3402682)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
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44n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065025
PNG
(CHEMBL3402666)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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50n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065042
PNG
(CHEMBL3402683)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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50n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065015
PNG
(CHEMBL3402676)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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50n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065025
PNG
(CHEMBL3402666)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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55n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065042
PNG
(CHEMBL3402683)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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60n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065020
PNG
(CHEMBL3402671)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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60n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065028
PNG
(CHEMBL3402664)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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60n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065017
PNG
(CHEMBL3402674)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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60n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065023
PNG
(CHEMBL3402668)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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66n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065024
PNG
(CHEMBL3402667)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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68n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065034
PNG
(CHEMBL3402658)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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70n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065014
PNG
(CHEMBL3402677)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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70n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065028
PNG
(CHEMBL3402664)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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70n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065022
PNG
(CHEMBL3402669)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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70n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065023
PNG
(CHEMBL3402668)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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71n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065040
PNG
(CHEMBL3402682)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
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73n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065022
PNG
(CHEMBL3402669)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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74n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065023
PNG
(CHEMBL3402668)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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75n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065033
PNG
(CHEMBL3402659)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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78n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065015
PNG
(CHEMBL3402676)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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80n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065035
PNG
(CHEMBL3402657)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
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80n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065020
PNG
(CHEMBL3402671)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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80n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065025
PNG
(CHEMBL3402666)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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80n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM86032
PNG
(trans-H2-PAT(-) | trans-PAT)
Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
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94n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065013
PNG
(CHEMBL3402678)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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94n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM86032
PNG
(trans-H2-PAT(-) | trans-PAT)
Show SMILES CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065029
PNG
(CHEMBL3402663)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065013
PNG
(CHEMBL3402678)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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110n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065014
PNG
(CHEMBL3402677)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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110n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065045
PNG
(CHEMBL3402685)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m0./s1
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120n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065021
PNG
(CHEMBL3402670)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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120n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065026
PNG
(CHEMBL3402665)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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120n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065015
PNG
(CHEMBL3402676)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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130n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065024
PNG
(CHEMBL3402667)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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140n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065035
PNG
(CHEMBL3402657)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1
Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
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170n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065015
PNG
(CHEMBL3402676)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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170n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065043
PNG
(CHEMBL3402684)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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190n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065040
PNG
(CHEMBL3402682)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
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200n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065019
PNG
(CHEMBL3402672)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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200n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065013
PNG
(CHEMBL3402678)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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200n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065017
PNG
(CHEMBL3402674)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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200n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065039
PNG
(CHEMBL3402681)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m0./s1
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200n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065030
PNG
(CHEMBL3402662)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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210n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065029
PNG
(CHEMBL3402663)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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210n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065030
PNG
(CHEMBL3402662)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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220n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065029
PNG
(CHEMBL3402663)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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220n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065020
PNG
(CHEMBL3402671)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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230n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065019
PNG
(CHEMBL3402672)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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230n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065030
PNG
(CHEMBL3402662)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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230n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1
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240n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065026
PNG
(CHEMBL3402665)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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250n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065030
PNG
(CHEMBL3402662)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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250n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065017
PNG
(CHEMBL3402674)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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260n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065043
PNG
(CHEMBL3402684)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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290n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065026
PNG
(CHEMBL3402665)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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300n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065043
PNG
(CHEMBL3402684)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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300n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065013
PNG
(CHEMBL3402678)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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320n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065037
PNG
(CHEMBL3402655)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m0./s1
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370n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065046
PNG
(CHEMBL3402686)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m1./s1
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400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065024
PNG
(CHEMBL3402667)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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400n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1
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430n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065038
PNG
(CHEMBL3402680)
Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m1./s1
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430n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM86029
PNG
(trans-H2-PAT(+))
Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1
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470n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065021
PNG
(CHEMBL3402670)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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500n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065031
PNG
(CHEMBL3402661)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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520n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065028
PNG
(CHEMBL3402664)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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530n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065031
PNG
(CHEMBL3402661)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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540n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065034
PNG
(CHEMBL3402658)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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650n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065039
PNG
(CHEMBL3402681)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m0./s1
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650n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065032
PNG
(CHEMBL3402660)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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680n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065045
PNG
(CHEMBL3402685)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m0./s1
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700n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065042
PNG
(CHEMBL3402683)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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710n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065033
PNG
(CHEMBL3402659)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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760n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065037
PNG
(CHEMBL3402655)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m0./s1
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800n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065022
PNG
(CHEMBL3402669)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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800n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065046
PNG
(CHEMBL3402686)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m1./s1
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800n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065039
PNG
(CHEMBL3402681)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m0./s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065032
PNG
(CHEMBL3402660)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065046
PNG
(CHEMBL3402686)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m1./s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065021
PNG
(CHEMBL3402670)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065034
PNG
(CHEMBL3402658)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065029
PNG
(CHEMBL3402663)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065019
PNG
(CHEMBL3402672)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065046
PNG
(CHEMBL3402686)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m1./s1
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1.60E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50065045
PNG
(CHEMBL3402685)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m0./s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065031
PNG
(CHEMBL3402661)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065043
PNG
(CHEMBL3402684)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065033
PNG
(CHEMBL3402659)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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2.60E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065042
PNG
(CHEMBL3402683)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Cl)c2ccccc2C1
Show InChI InChI=1S/C18H20ClN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065033
PNG
(CHEMBL3402659)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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4.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065032
PNG
(CHEMBL3402660)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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PubMed
4.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065019
PNG
(CHEMBL3402672)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(10-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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PubMed
4.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065034
PNG
(CHEMBL3402658)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccccc2Br)c2ccccc2C1
Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19;/h3-10,14,17H,11-12H2,1-2H3;1H/t14-,17+;/m1./s1
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PubMed
4.20E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065031
PNG
(CHEMBL3402661)
Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(cc2)C(F)(F)F)c2ccccc2C1
Show InChI InChI=1S/C19H20F3N.ClH/c1-23(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)19(20,21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
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PubMed
5.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50065045
PNG
(CHEMBL3402685)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccccc2C)c2ccccc2C1
Show InChI InChI=1S/C19H23N.ClH/c1-14-8-4-6-10-17(14)19-13-16(20(2)3)12-15-9-5-7-11-18(15)19;/h4-11,16,19H,12-13H2,1-3H3;1H/t16-,19-;/m0./s1
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50065032
PNG
(CHEMBL3402660)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2ccc(cc2)[N+]([O-])=O)c2ccccc2C1
Show InChI InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(10-8-13)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m0./s1
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PubMed
8.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065039
PNG
(CHEMBL3402681)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1
Show InChI InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m0./s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50065037
PNG
(CHEMBL3402655)
Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCCCC2)c2ccccc2C1
Show InChI InChI=1S/C20H31N.ClH/c1-21(2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-4-3-5-7-11-16;/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3;1H/t18-,20-;/m0./s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 23: 1588-600 (2015)


Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%