BDBM50125049 CHEMBL3623830

SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N

InChI Key InChIKey=ITXORCJLPUUDIY-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50125049   

TargetCytochrome P450 11B2, mitochondrial(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50125049(CHEMBL3623830)
Affinity DataIC50: 9nMAssay Description:Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 11B2, mitochondrial(Mouse)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50125049(CHEMBL3623830)
Affinity DataIC50: 530nMAssay Description:Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50125049(CHEMBL3623830)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50125049(CHEMBL3623830)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50125049(CHEMBL3623830)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMed