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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50416110'   
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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50416110
PNG
(CHEMBL1085836)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C32H33N3O4S/c1-39-30-15-16-31(27-13-6-5-12-26(27)30)40(37,38)35-22-28(25-11-7-8-14-29(25)35)32(36)33-24-17-19-34(20-18-24)21-23-9-3-2-4-10-23/h2-16,24,28H,17-22H2,1H3,(H,33,36)
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PC cid
PC sid
UniChem
Article
PubMed
50.1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair