BDBM50037714 CHEMBL3358204

SMILES Brc1ccc2scc(C=O)c2c1

InChI Key InChIKey=LQLMHAYNFMAEHI-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50037714   

TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037714(CHEMBL3358204)
Affinity DataKi:  1.50E+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 DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037714(CHEMBL3358204)
Affinity DataIC50:  500nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037714(CHEMBL3358204)
Affinity DataIC50:  5.00E+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 DepthDetails ArticlePubMed