BDBM50037782 CHEMBL3358223

SMILES O=Cc1ccc2[nH]ccc2c1

InChI Key InChIKey=ADZUEEUKBYCSEY-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50037782   

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

Curated by ChEMBL
LigandPNGBDBM50037782(CHEMBL3358223)
Affinity DataKi:  70nMAssay 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
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037782(CHEMBL3358223)
Affinity DataKi:  1.80E+3nMAssay Description:Competitive inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50037782(CHEMBL3358223)
Affinity DataIC50:  400nMAssay 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