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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit' and Ligand = 'BDBM50322512'   
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 protein alpha-4/beta-4 subunit


(Homo sapiens (Human))
BDBM50322512
PNG
((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Homo sapiens (Human))
BDBM50322512
PNG
((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


J Med Chem 54: 1441-8 (2011)


Article DOI: 10.1021/jm1014555
BindingDB Entry DOI: 10.7270/Q2WW7HZ2
More data for this
Ligand-Target Pair