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SMILES: COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cn(C)c2ccccc12

InChI Key: InChIKey=ZKLJSNCVKNFLDG-UHFFFAOYSA-N

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 = 166326   
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))
BDBM166326
PNG
(US9067949, 183)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H20N2O4S/c1-23-12-20(14-5-3-4-6-17(14)23)28(24,25)13-9-15-16-11-22-8-7-18(16)27-21(15)19(10-13)26-2/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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Similars

US Patent
0.160 -13.4n/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