BDBM50609940 CHEMBL5289888

SMILES COc1cc(Nc2nc(cs2)-c2nc(cs2)-c2ccccc2)cc(OC)c1

InChI Key InChIKey=OOGDXDOGQSAONV-UHFFFAOYSA-N

Data  3 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 = 50609940   

TargetCytochrome P450 1B1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50609940(CHEMBL5289888)
Affinity DataIC50: 3.90nMAssay 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
LigandPNGBDBM50609940(CHEMBL5289888)
Affinity DataIC50: 222nMAssay 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
LigandPNGBDBM50609940(CHEMBL5289888)
Affinity DataIC50: 1.08E+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