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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 = 'BDBM50471332'   
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))
BDBM50471332
PNG
(CHEMBL96312)
Show SMILES CC(N)Cn1ccc2Cc3ccc(C)cc3-c12
Show InChI InChI=1S/C15H18N2/c1-10-3-4-12-8-13-5-6-17(9-11(2)16)15(13)14(12)7-10/h3-7,11H,8-9,16H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50471332
PNG
(CHEMBL96312)
Show SMILES CC(N)Cn1ccc2Cc3ccc(C)cc3-c12
Show InChI InChI=1S/C15H18N2/c1-10-3-4-12-8-13-5-6-17(9-11(2)16)15(13)14(12)7-10/h3-7,11H,8-9,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 501n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair