BDBM50343939 (S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile::CHEMBL1778663

SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N

InChI Key InChIKey=XHHRGYCOEVNAKV-UHFFFAOYSA-N

Data  2 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 7 hits for monomerid = 50343939   

TargetCytochrome P450 3A4(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Cxs

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataKi:  0.590nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAurora kinase A(Human)
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Affinity DataKi: <1nMAssay 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 DepthDetails Article
PubMed