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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM111790'   
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 (5-HT6)


(Homo sapiens (Human))
BDBM111790
PNG
(US8618114, 1.2.22(5).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O2S/c1-9-13(8-18)10(2)22-16(20-9)14(15(19-3)21-22)25(23,24)12-6-4-5-11(17)7-12/h4-7H,8,18H2,1-3H3,(H,19,21)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.227n/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))
BDBM111790
PNG
(US8618114, 1.2.22(5).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O2S/c1-9-13(8-18)10(2)22-16(20-9)14(15(19-3)21-22)25(23,24)12-6-4-5-11(17)7-12/h4-7H,8,18H2,1-3H3,(H,19,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/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