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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 = 'BDBM50199139'   
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))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5-HT2C receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5-HT2C receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair