BDBM50538046 CHEMBL4647198

SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cncc(Cl)c1)NC2

InChI Key InChIKey=USSWRHGXQIARLZ-VHAYCGLKSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50538046   

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM50538046(CHEMBL4647198)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM50538046(CHEMBL4647198)
Affinity DataKi:  8.20nMAssay Description:Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM50538046(CHEMBL4647198)
Affinity DataIC50: >4.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 12 min in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM50538046(CHEMBL4647198)
Affinity DataIC50: >4.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 2 min in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed