BDBM50206857 CHEMBL3922893

SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1

InChI Key InChIKey=PQYAPEIRQCOGCC-UHFFFAOYSA-N

Data  1 KI  3 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 4 hits for monomerid = 50206857   

TargetCytochrome P450 1A2(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206857(CHEMBL3922893)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206857(CHEMBL3922893)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206857(CHEMBL3922893)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206857(CHEMBL3922893)
Affinity DataKi:  6nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed