BDBM50503774 CHEMBL4444783

SMILES c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]

InChI Key InChIKey=MCMLNAPQDOZTMY-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50503774   

TargetCytochrome P450 1A2(Human)
Showa Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503774(CHEMBL4444783)
Affinity DataIC50: 667nMAssay Description:Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Showa Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503774(CHEMBL4444783)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A1(Human)
Showa Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503774(CHEMBL4444783)
Affinity DataIC50: 525nMAssay Description:Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed