BDBM50158916 5-Pyridin-3-yl-thiophene-2-carbaldehyde::CHEMBL179398::US8609708, 25

SMILES O=Cc1ccc(s1)-c1cccnc1

InChI Key InChIKey=DIQWXENHCURRML-UHFFFAOYSA-N

Data  1 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50158916   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 4.77E+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
Go to US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 2.39E+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
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 4.80E+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 2B6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 2.16E+4nMAssay 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
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 4.00E+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 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 5.52E+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 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 2.39E+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
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 6.52E+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 2E1(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataIC50: 3.43E+4nMAssay 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
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50158916(US8609708, 25 | CHEMBL179398 | 5-Pyridin-3-yl-thio...)
Affinity DataKi:  790nMAssay 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