BDBM191880 US9187429, 5::US9187429, 6::US9187429, 7

SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N

InChI Key InChIKey=ITXORCJLPUUDIY-UHFFFAOYSA-N

Data  4 IC50  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 191880   

TargetCytochrome P450 11B1, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  760nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  1.17E+4nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  263nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 11B2, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  25nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 11B2, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  942nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 11B2, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataEC50:  10nMAssay Description:G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2016
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
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 11B2, mitochondrial(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
Affinity DataIC50: 25nMAssay 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 2D6(Human)
Roche Pharma Research and Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
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
LigandPNGBDBM191880(US9187429, 7 | US9187429, 6 | US9187429, 5)
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