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BDBM50416134 CHEMBL1084214

SMILES: COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CC(C(=O)N(C)C2CCN(C)CC2)c2ccccc12

InChI Key: InChIKey=CDODPCDVFQGXAS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416134   
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))
BDBM50416134
PNG
(CHEMBL1084214)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CC(C(=O)N(C)C2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C26H35N3O4S/c1-17-15-24(33-6)18(2)19(3)25(17)34(31,32)29-16-22(21-9-7-8-10-23(21)29)26(30)28(5)20-11-13-27(4)14-12-20/h7-10,15,20,22H,11-14,16H2,1-6H3
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PC cid
PC sid
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Article
PubMed
100n/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