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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50238747'   
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))
BDBM50238747
PNG
(CHEMBL4064809)
Show SMILES Cl.COc1ccc(F)cc1C1CC1CNCc1ccccc1C#N
Show InChI InChI=1S/C19H19FN2O.ClH/c1-23-19-7-6-16(20)9-18(19)17-8-15(17)12-22-11-14-5-3-2-4-13(14)10-21;/h2-7,9,15,17,22H,8,11-12H2,1H3;1H
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 245n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293 cells assessed as induction of Gq-mediated calcium flux measured eve...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238747
PNG
(CHEMBL4064809)
Show SMILES Cl.COc1ccc(F)cc1C1CC1CNCc1ccccc1C#N
Show InChI InChI=1S/C19H19FN2O.ClH/c1-23-19-7-6-16(20)9-18(19)17-8-15(17)12-22-11-14-5-3-2-4-13(14)10-21;/h2-7,9,15,17,22H,8,11-12H2,1H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 245n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair