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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 = 'BDBM322292'   
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))
BDBM322292
PNG
(6-methyl-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H22N2OS/c1-12-2-3-14-11-16(23-15(14)10-12)18(22)20-17-13-4-8-21(9-5-13)19(17)6-7-19/h2-3,10-11,13,17H,4-9H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
180n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...


US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322292
PNG
(6-methyl-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H22N2OS/c1-12-2-3-14-11-16(23-15(14)10-12)18(22)20-17-13-4-8-21(9-5-13)19(17)6-7-19/h2-3,10-11,13,17H,4-9H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.60E+3n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...


US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair