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BDBM50416138 CHEMBL1084317

SMILES: CCN(CC)CCCNC(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12

InChI Key: InChIKey=VEYRIJHOTZSUIN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416138   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50416138
PNG
(CHEMBL1084317)
Show SMILES CCN(CC)CCCNC(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show InChI InChI=1S/C27H33N3O4S/c1-4-29(5-2)18-10-17-28-27(31)23-19-30(24-14-9-8-11-20(23)24)35(32,33)26-16-15-25(34-3)21-12-6-7-13-22(21)26/h6-9,11-16,23H,4-5,10,17-19H2,1-3H3,(H,28,31)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/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