BDBM50314278 CHEMBL1091792::rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine

SMILES COc1cccc(n1)C(C)c1c(CCN(C)C)sc2ccccc12

InChI Key InChIKey=VVIWSBGDDVESJJ-UHFFFAOYSA-N

Data  3 KI  1 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 = 50314278   

TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314278(rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]t...)
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
LigandPNGBDBM50314278(rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]t...)
Affinity DataKi:  59nMAssay 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
LigandPNGBDBM50314278(rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]t...)
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
LigandPNGBDBM50314278(rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]t...)
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