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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 = 'BDBM50238752'   
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))
BDBM50238752
PNG
(CHEMBL4093447)
Show SMILES Cl.COc1cccc(CNC[C@@H]2C[C@H]2c2cc(F)ccc2OC)c1 |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-16-5-3-4-13(8-16)11-21-12-14-9-17(14)18-10-15(20)6-7-19(18)23-2;/h3-8,10,14,17,21H,9,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
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Similars

Article
PubMed
n/an/an/an/a 2.60E+3n/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))
BDBM50238752
PNG
(CHEMBL4093447)
Show SMILES Cl.COc1cccc(CNC[C@@H]2C[C@H]2c2cc(F)ccc2OC)c1 |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-16-5-3-4-13(8-16)11-21-12-14-9-17(14)18-10-15(20)6-7-19(18)23-2;/h3-8,10,14,17,21H,9,11-12H2,1-2H3;1H/t14-,17+;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.63E+3n/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