BDBM12351 3-(3-methylthiophen-2-yl)pyridine::CHEMBL179669::US8609708, 4::nicotine 3-heteroaromatic analogue 4

SMILES Cc1ccsc1-c1cccnc1

InChI Key InChIKey=JIOQSJVEVFADJG-UHFFFAOYSA-N

Data  3 KI  11 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 14 hits for monomerid = 12351   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataKi:  100nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataKi:  300nM ΔG°:  -9.25kcal/molepH: 7.5 T: 37°CAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataKi:  3.00E+3nMAssay Description:To measure CYP3A4 activity, testosterone 6-hydroxylation was determined. After reactions were terminated, the organic phase was collected and removed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Human)
TBA

US Patent
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  3.90E+3nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  2.01E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  6.90E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  9.31E+4nMAssay Description:Inhibitory concentration against human cytochrome P-450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Human)
TBA

US Patent
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  9.25E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  200nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  5.99E+3nMAssay 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 DepthDetails US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  622nMAssay 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 DepthDetails US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12351(3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...)
Affinity DataIC50:  620nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed