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BDBM50148852 CHEMBL3769968

SMILES: Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C

InChI Key: InChIKey=XGCOQOYOBQPELW-UHFFFAOYSA-N

Data: 32 KI  1 IC50  10 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50148852   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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=1S/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=1S/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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=1S/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=1S/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=1S/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=1S/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=1S/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=1S/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=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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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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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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=1S/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=1S/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


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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=1S/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=1S/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=1S/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 M5


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 M5


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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=1S/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=1S/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=1S/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=1S/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 1.74E+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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 1.75E+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 2C


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 116n/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))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 115n/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))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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 2A


(Homo sapiens (Human))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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))
BDBM50148852
PNG
(CHEMBL3769968)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
Show InChI InChI=1S/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=1S/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 832n/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=1S/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 490n/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=1S/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