BDBM50158927 2-Fluoro-5-(4-methyl-thiophen-3-yl)-pyridine::CHEMBL425519::US8609708, 45

SMILES Cc1cscc1-c1ccc(F)nc1

InChI Key InChIKey=KEERDUCTIKTUOE-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50158927   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 1.30E+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
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataKi:  2.60E+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 2B6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 1.18E+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 2A6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 1.58E+4nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 3.91E+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
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 4.09E+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

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 1.14E+5nMAssay 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 2D6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 2.96E+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
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 3.68E+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
TargetCytochrome P450 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50158927(US8609708, 45 | CHEMBL425519 | 2-Fluoro-5-(4-methy...)
Affinity DataIC50: 4.00E+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