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BDBM166361 US9067949, 218

SMILES: CC(C)(O)COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=JYPIGZGIMNXNHP-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166361   
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


(Homo sapiens (Human))
BDBM166361
PNG
(US9067949, 218)
Show SMILES CC(C)(O)COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H23NO5S/c1-21(2,23)13-26-19-11-15(28(24,25)14-6-4-3-5-7-14)10-16-17-12-22-9-8-18(17)27-20(16)19/h3-7,10-11,22-23H,8-9,12-13H2,1-2H3
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PC sid
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Similars

US Patent
507 -8.58n/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