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PubMed code 26704965

Compile Data Set for Download or QSAR

Found 229 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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27n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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29n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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68n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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69n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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111n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT6 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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115n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT6 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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166n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2A adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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195n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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201n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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275n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2C adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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278n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2C adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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380n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2B adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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661n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2A adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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750n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
PDB
MMDB

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807n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human beta-2 adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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813n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human beta-2 adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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933n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.02E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.26E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human SERT by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.26E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human SERT by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.27E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.55E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-2B adrenergic receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.57E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.59E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.69E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D4 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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1.70E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D4 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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2.82E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine M5 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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2.84E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic acetylcholine M5 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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3.39E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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3.39E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin) by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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4.90E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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4.90E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor by radioligand binding assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148841
PNG
(CHEMBL3769421)
Show SMILES Cl.NCC1CC1c1cc(Cl)c(F)cc1OCCF
Show InChI InChI=1/C12H14ClF2NO.ClH/c13-10-4-9(8-3-7(8)6-16)12(5-11(10)15)17-2-1-14;/h4-5,7-8H,1-3,6,16H2;1H
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n/an/an/an/a 506n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148842
PNG
(CHEMBL3770174)
Show SMILES Cl.NCC1CC1c1cc(Cl)c(F)cc1OCC=C
Show InChI InChI=1/C13H15ClFNO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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n/an/an/an/a 1.96E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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n/an/an/an/a 831n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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n/an/an/an/a 491n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148847
PNG
(CHEMBL3770225)
Show SMILES Cl.COc1ccc(F)c(Cl)c1C1CC1CN
Show InChI InChI=1/C11H13ClFNO.ClH/c1-15-9-3-2-8(13)11(12)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
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n/an/an/an/a 119n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
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n/an/an/an/a 8.70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148851
PNG
(CHEMBL3769828)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCCF
Show InChI InChI=1/C12H14F3NO.ClH/c13-1-2-17-12-5-11(15)10(14)4-9(12)8-3-7(8)6-16;/h4-5,7-8H,1-3,6,16H2;1H
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n/an/an/an/a 7.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H
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n/an/an/an/a 151n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H
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n/an/an/an/a 36n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148844
PNG
(CHEMBL3769543)
Show SMILES Cl.COc1cc(Cl)c(Cl)cc1C1CC1CN
Show InChI InChI=1/C11H13Cl2NO.ClH/c1-15-11-4-10(13)9(12)3-8(11)7-2-6(7)5-14;/h3-4,6-7H,2,5,14H2,1H3;1H
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n/an/an/an/a 14n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148846
PNG
(CHEMBL3769454)
Show SMILES Cl.COc1ccc(Cl)c(Cl)c1C1CC1CN
Show InChI InChI=1/C11H13Cl2NO.ClH/c1-15-9-3-2-8(12)11(13)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
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n/an/an/an/a 0.950n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 328n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1/C13H15F2NO.ClH/c1-2-5-17-11-4-3-10(14)13(15)12(11)9-6-8(9)7-16;/h2-4,8-9H,1,5-7,16H2;1H
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n/an/an/an/a 3.34E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148855
PNG
(CHEMBL3770689)
Show SMILES Cl.COc1cc(F)c(Cl)cc1C1CC1CN
Show InChI InChI=1/C11H13ClFNO.ClH/c1-15-11-4-10(13)9(12)3-8(11)7-2-6(7)5-14;/h3-4,6-7H,2,5,14H2,1H3;1H
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n/an/an/an/a 25n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50148846
PNG
(CHEMBL3769454)
Show SMILES Cl.COc1ccc(Cl)c(Cl)c1C1CC1CN
Show InChI InChI=1/C11H13Cl2NO.ClH/c1-15-9-3-2-8(12)11(13)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
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n/an/an/an/a 17n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50148847
PNG
(CHEMBL3770225)
Show SMILES Cl.COc1ccc(F)c(Cl)c1C1CC1CN
Show InChI InChI=1/C11H13ClFNO.ClH/c1-15-9-3-2-8(13)11(12)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 102n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50148851
PNG
(CHEMBL3769828)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCCF
Show InChI InChI=1/C12H14F3NO.ClH/c13-1-2-17-12-5-11(15)10(14)4-9(12)8-3-7(8)6-16;/h4-5,7-8H,1-3,6,16H2;1H
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 363n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%