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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50466613'   
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-7


(Homo sapiens (Human))
BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
189n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50466613
PNG
(CHEMBL4287656)
Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...


J Med Chem 61: 10531-10544 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01052
BindingDB Entry DOI: 10.7270/Q2PV6P2W
More data for this
Ligand-Target Pair