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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 = 'BDBM50321877'   
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))
BDBM50321877
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid pyri...)
Show SMILES Clc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C14H12ClN3O/c15-11-3-4-13-10(8-11)5-7-18(13)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
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Article
PubMed
79n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine as radioligand


J Med Chem 41: 1598-612 (1998)


Article DOI: 10.1021/jm970741j
BindingDB Entry DOI: 10.7270/Q2WM1H48
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321877
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid pyri...)
Show SMILES Clc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C14H12ClN3O/c15-11-3-4-13-10(8-11)5-7-18(13)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair