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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM166354'   
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


(Homo sapiens (Human))
BDBM166354
PNG
(US9067949, 211)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1cc(C#N)c2oc3CCNCc3c2c1
Show InChI InChI=1S/C21H17N3O3S/c1-24-12-20(15-4-2-3-5-18(15)24)28(25,26)14-8-13(10-22)21-16(9-14)17-11-23-7-6-19(17)27-21/h2-5,8-9,12,23H,6-7,11H2,1H3
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Similars

US Patent
0.400 -53.6n/an/an/an/an/a7.525



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)


BindingDB Entry DOI: 10.7270/Q23777FB
More data for this
Ligand-Target Pair