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BDBM50416123 CHEMBL1085352

SMILES: CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)C1=CC2CCOC2C=C1

InChI Key: InChIKey=PTMJIKPPEHPYSH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416123   
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))
BDBM50416123
PNG
(CHEMBL1085352)
Show SMILES CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)C1=CC2CCOC2C=C1 |c:34,t:26|
Show InChI InChI=1S/C24H31N3O4S/c1-25-12-9-18(10-13-25)26(2)24(28)21-16-27(22-6-4-3-5-20(21)22)32(29,30)19-7-8-23-17(15-19)11-14-31-23/h3-8,15,17-18,21,23H,9-14,16H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31.6n/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