BDBM50618196 CHEMBL5406710

SMILES COc1ccc(-c2nc(cs2)-c2cccnc2)c(OC)c1

InChI Key InChIKey=FCEVWHIHGSZYEF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50618196   

TargetCytochrome P450 1B1(Human)
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50618196(CHEMBL5406710)
Affinity DataIC50: 5nMAssay Description:Inhibition of CYP1B1 (unknown origin) expressed in HEK293-T-REx cells co-expressing POR incubated for 1 hr by resorufin dye based plate reader analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 1A1(Human)
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50618196(CHEMBL5406710)
Affinity DataIC50: 25nMAssay Description:Inhibition of CYP1A1 (unknown origin) expressed in HEK293-T-REx cells co-expressing POR incubated for 1 hr by resorufin dye based plate reader analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50618196(CHEMBL5406710)
Affinity DataIC50: 68nMAssay Description:Inhibition of CYP1A2 (unknown origin) incubated for 10 mins in presence of NADPH by resorufin dye based fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50618196(CHEMBL5406710)
Affinity DataIC50: 1.58E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) incubated for 1 hr in presence of NADPH and 7-BFC by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed