null

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

InChI Key InChIKey=OLTZHXYLLRJLST-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50252405   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)copy SMILEScopy InChI
Affinity DataKi:  4.40nMAssay Description:Inhibition of CYP1B1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by Lineweaver-Burk linea...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50252405(CHEMBL556353 | Pifithrin-Alpha)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed