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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'nAChR alpha4 beta2 subtype' and Ligand = 'BDBM221046'   
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
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221046
PNG
(US9284322, Table 7, Compound 2)
Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.840 -51.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair