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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50148851'   
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))
BDBM50148851
PNG
(CHEMBL3769828)
Show SMILES Cl.NCC1CC1c1cc(F)c(F)cc1OCCF
Show InChI InChI=1S/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 772n/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)


Article DOI: 10.1021/acs.jmedchem.5b01153
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=1S/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
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 772n/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)


Article DOI: 10.1021/acs.jmedchem.5b01153
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=1S/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 772n/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)


Article DOI: 10.1021/acs.jmedchem.5b01153
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=1S/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 776n/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)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair