BDBM50562242 CHEMBL4799305

SMILES COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccnc(Cl)c1

InChI Key InChIKey=LRZWKMMMWDGUNO-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 = 50562242   

TargetCytochrome P450 1B1(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50562242(CHEMBL4799305)
Affinity DataIC50: 1.10nMAssay 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
LigandPNGBDBM50562242(CHEMBL4799305)
Affinity DataIC50: 92nMAssay 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
LigandPNGBDBM50562242(CHEMBL4799305)
Affinity DataIC50: 1.00E+3nMAssay 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