BDBM50314279 CHEMBL1091793::rac-2-(3-(1-(6-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine

SMILES CC(c1c(CCN(C)C)sc2ccccc12)c1cccc(F)n1

InChI Key InChIKey=WIKAXVDAJYMGCT-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50314279   

TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314279(rac-2-(3-(1-(6-fluoropyridin-2-yl)ethyl)benzo[b]th...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314279(rac-2-(3-(1-(6-fluoropyridin-2-yl)ethyl)benzo[b]th...)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314279(rac-2-(3-(1-(6-fluoropyridin-2-yl)ethyl)benzo[b]th...)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]Dofetilide from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314279(rac-2-(3-(1-(6-fluoropyridin-2-yl)ethyl)benzo[b]th...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed