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BDBM166231 US9067949, 88

SMILES: CN(C)C(=O)C1NCCc2oc3c(Cl)cc(cc3c12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=HEXOMDSSQWRBOQ-UHFFFAOYNA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166231   
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))
BDBM166231
PNG
(US9067949, 88)
Show SMILES CN(C)C(=O)C1NCCc2oc3c(Cl)cc(cc3c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C20H19ClN2O4S/c1-23(2)20(24)18-17-14-10-13(28(25,26)12-6-4-3-5-7-12)11-15(21)19(14)27-16(17)8-9-22-18/h3-7,10-11,18,22H,8-9H2,1-2H3
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PC sid
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Similars

US Patent
252 -9.00n/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