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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4 beta 2' and Ligand = 'BDBM50395217'   
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
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395217
PNG
(CHEMBL2164667 | US9150581, RTI-7527-168)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair