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BDBM50416115 CHEMBL1084614

SMILES: COc1cccc(c1)N1CCN(CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12

InChI Key: InChIKey=FVRZWGAORLIRIZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416115   
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))
BDBM50416115
PNG
(CHEMBL1084614)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show InChI InChI=1S/C31H31N3O5S/c1-38-23-9-7-8-22(20-23)32-16-18-33(19-17-32)31(35)27-21-34(28-13-6-5-10-24(27)28)40(36,37)30-15-14-29(39-2)25-11-3-4-12-26(25)30/h3-15,20,27H,16-19,21H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
63.1n/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