BDBM50398447 Aromasin::EXEMESTANE

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C

InChI Key InChIKey=BFYIZQONLCFLEV-UHFFFAOYSA-N

Data  5 KI  12 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 = 50398447   

TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 50nMAssay Description:Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 900nMAssay Description:Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataKi:  26nMAssay Description:Competitive inhibition of human placental microsome aromatase using varying levels of [1beta2beta3H]-androstenedione as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)