BDBM50398447 Aromasin::EXEMESTANE

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

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 17 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 15nMAssay Description:Inhibition of aromatase in human breast tumorMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 50nMAssay Description:Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as substrate incubated for 1 hr and measured by BCA assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 23nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 43nMAssay Description:Inhibition of CYP19 in human placental microsome using [1beta-3H]-androstenedione as substrate after 15 mins in presence of NADPH by liquid scintilla...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 50.1nMAssay Description:Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataIC50: 230nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataKi:  0.950nMAssay Description:Binding affinity to aromatase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataKi:  10nMAssay Description:Competitive inhibition of human aromatase extracted from placental microsomesMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataKi:  26nMAssay Description:Inhibition of human placental microsome aromatase using [3H]androstenedione as substrate preincubated for 32 mins in presence of NADPH followed by su...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Coimbra

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Affinity DataKi:  26nMAssay Description:Irreversible inhibition of human aromatase extracted from placental microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)