BDBM50158912 1-(5-Pyridin-3-yl-thiophen-2-yl)-ethanone::CHEMBL362702::US8609708, 36

SMILES CC(=O)c1ccc(s1)-c1cccnc1

InChI Key InChIKey=YOYYBAFJQXCJDK-UHFFFAOYSA-N

Data  1 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50158912   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataKi:  1.40E+3nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 8.60E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 8.61E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 2.69E+4nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 6.27E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 9.82E+4nMAssay Description:Inhibitory concentration against human cytochrome P-450 2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 2.17E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 3.87E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158912(CHEMBL362702 | US8609708, 36 | 1-(5-Pyridin-3-yl-t...)
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed