BDBM50037780 CHEMBL3358216

SMILES N#Cc1ccc2occc2c1

InChI Key InChIKey=SXFQAFFSEZRQCJ-UHFFFAOYSA-N

Data  3 KI  2 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 5 hits for monomerid = 50037780   

TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  100nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  200nMAssay Description:Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataIC50: 600nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 30 mins prior to substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  2.40E+3nMAssay Description:Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed