BDBM50562249 CHEMBL4750507

SMILES COc1ccc(OC)c2c3oc(cc(=O)c3cc(OC)c12)-c1cccc(C)n1

InChI Key InChIKey=FSHGHTUKHMNPQN-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 = 50562249   

TargetCytochrome P450 1B1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50562249(CHEMBL4750507)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50562249(CHEMBL4750507)
Affinity DataIC50: 20nMAssay Description:Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50562249(CHEMBL4750507)
Affinity DataIC50: 148nMAssay Description:Inhibition of recombinant human CYP1A2 using 7-ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed