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BDBM111787 US8618114, 1.2.22(2).HCl

SMILES: CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=MDPSXQAHCIOACT-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 111787   
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))
BDBM111787
PNG
(US8618114, 1.2.22(2).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.560n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM111787
PNG
(US8618114, 1.2.22(2).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair