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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50002627'   
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))
BDBM50002627
PNG
(CHEMBL209735)
Show SMILES COc1ccc(cc1OCCN1CCC(CC1)C(C)C)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:24|
Show InChI InChI=1S/C27H32Cl2N2O3/c1-18(2)19-8-11-30(12-9-19)14-15-34-26-17-21(5-7-25(26)33-3)31-13-10-22(27(31)32)20-4-6-23(28)24(29)16-20/h4-7,10,16-19H,8-9,11-15H2,1-3H3
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair