BDBM50314282 (-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine::CHEMBL1092377

SMILES C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F

InChI Key InChIKey=GETROLYXSDDSDH-UHFFFAOYSA-N

Data  3 KI  3 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 6 hits for monomerid = 50314282   

TargetCytochrome P450 2D6(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
Affinity DataIC50: 330nMAssay Description:Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysisMore 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
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
Affinity DataKi:  2.70nMAssay 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
TargetMuscarinic acetylcholine receptor M1(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
Affinity DataKi:  2.20E+3nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50314282((-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[...)
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