BDBM50609942 CHEMBL5268876

SMILES CCc1sc(nc1-c1ccccc1)-c1csc(Nc2cc(OC)cc(OC)c2)n1

InChI Key InChIKey=XTWLRMXVIARWFU-UHFFFAOYSA-N

Data  3 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 = 50609942   

TargetCytochrome P450 1B1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50609942(CHEMBL5268876)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetCytochrome P450 1A1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50609942(CHEMBL5268876)
Affinity DataIC50: 611nMAssay Description:Inhibition of recombinant human CYP1A1 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50609942(CHEMBL5268876)
Affinity DataIC50: 5.25E+3nMAssay Description:Inhibition of recombinant human CYP1A2 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed