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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 = 'BDBM50530226'   
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


(Rattus norvegicus (Rat))
BDBM50530226
PNG
(CHEMBL4448467)
Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N(C)C)c1cccnc1 |r,TLB:9:8:2.3:6,THB:12:7:2.3:6|
Show InChI InChI=1S/C14H20N2/c1-16(2)14-11-6-5-10(8-11)13(14)12-4-3-7-15-9-12/h3-4,7,9-11,13-14H,5-6,8H2,1-2H3/t10-,11+,13-,14+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry


J Med Chem 62: 1887-1901 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01372
BindingDB Entry DOI: 10.7270/Q2PR80F8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50530226
PNG
(CHEMBL4448467)
Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N(C)C)c1cccnc1 |r,TLB:9:8:2.3:6,THB:12:7:2.3:6|
Show InChI InChI=1S/C14H20N2/c1-16(2)14-11-6-5-10(8-11)13(14)12-4-3-7-15-9-12/h3-4,7,9-11,13-14H,5-6,8H2,1-2H3/t10-,11+,13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry


J Med Chem 62: 1887-1901 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01372
BindingDB Entry DOI: 10.7270/Q2PR80F8
More data for this
Ligand-Target Pair