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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-3/beta-4' and Ligand = 'BDBM50143320'   
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-3/beta-4


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Swiss Federal Institute of Technology Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Alpha3 Beta4 Nicotinic acetylcholine receptor of rat brain homogenates


J Med Chem 48: 5123-30 (2005)


Article DOI: 10.1021/jm040881a
BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Swiss Federal Institute of Technology Zurich

Curated by ChEMBL


Assay Description
Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor expressed in IMR32 cell


J Med Chem 48: 5123-30 (2005)


Article DOI: 10.1021/jm040881a
BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
More data for this
Ligand-Target Pair