BDBM12358 3-(4-methylthiophen-3-yl)pyridine::CHEMBL179704::US8609708, 17::US8609708,17::nicotine 3-heteroaromatic analogue 11

SMILES Cc1cscc1-c1cccnc1

InChI Key InChIKey=RRFCTHIOMKUJRQ-UHFFFAOYSA-N

Data  3 KI  10 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 12358   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 1.85E+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 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 1.85E+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
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 2.50E+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
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 1.50E+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 2E1(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 6.30E+3nMAssay 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 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 1.23E+5nMAssay 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 2C19(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 2.49E+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 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 8.09E+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 2D6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 1.93E+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 2B6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataIC50: 6.30E+3nMAssay 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 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataKi:  250nMAssay 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

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataKi:  900nMAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(US8609708, 17 | US8609708,17 | CHEMBL179704 | 3-(4...)
Affinity DataKi: <2.50E+4nMAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed