BDBM50206859 CHEMBL3937431

SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1

InChI Key InChIKey=VQBZFHKHISYRMO-UHFFFAOYSA-N

Data  1 KI  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 6 hits for monomerid = 50206859   

TargetCytochrome P450 2C9(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of CYP2C9 (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
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataIC50: 5.00E+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 2C19(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataIC50: 900nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataIC50: 5.50E+3nMAssay 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 3A4(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataIC50: 1.80E+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
LigandPNGBDBM50206859(CHEMBL3937431)
Affinity DataKi:  4nMAssay 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