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BDBM50148861 CHEMBL3769499

SMILES: Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C

InChI Key: InChIKey=YASCELUJQFTHGR-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50148861   
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))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
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=1S/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
Reactome pathway
KEGG

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PC sid
UniChem

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PubMed
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 2B


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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
Reactome pathway
KEGG

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UniChem

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PubMed
n/an/an/an/a 3.31E+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 2B


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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
Reactome pathway
KEGG

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PC sid
UniChem

Similars

PubMed
n/an/an/an/a 4.46E+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 2B


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 4.47E+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))
BDBM50148861
PNG
(CHEMBL3769499)
Show SMILES Cl.NCC1CC1c1c(F)c(F)ccc1OCC=C
Show InChI InChI=1S/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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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