BDBM50350728 CHEMBL1818291

SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1

InChI Key InChIKey=VBCGLTJYUOQZMW-UHFFFAOYSA-N

Data  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50350728   

TargetAcetyl-CoA carboxylase 2(Human)
Astrazeneca Research and Development

Curated by ChEMBL
LigandPNGBDBM50350728(CHEMBL1818291)
Affinity DataIC50: 52nMAssay Description:Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetAcetyl-CoA carboxylase 1(Human)
Astrazeneca Research and Development

Curated by ChEMBL
LigandPNGBDBM50350728(CHEMBL1818291)
Affinity DataIC50: 240nMAssay Description:Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca Research and Development

Curated by ChEMBL
LigandPNGBDBM50350728(CHEMBL1818291)
Affinity DataIC50: 800nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca Research and Development

Curated by ChEMBL
LigandPNGBDBM50350728(CHEMBL1818291)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Astrazeneca Research and Development

Curated by ChEMBL
LigandPNGBDBM50350728(CHEMBL1818291)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed