BDBM50252405 CHEMBL556353::Pifithrin-Alpha

SMILES Br.Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N

InChI Key InChIKey=OLTZHXYLLRJLST-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 = 50252405   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)
Affinity DataKi:  4.40nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)
Affinity DataIC50:  21nMAssay Description:Inhibition of CYP1B1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by spectrofluorimetric a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of CYP1A1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by spectrofluorimetric a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed