BDBM50267295 CHEMBL470508::Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanamido)-6-phenyl-1-(4-(pyridin-2-yl)phenyl)hexan-2-ylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamate

SMILES COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C

InChI Key InChIKey=NMNZCBCNNBOZGJ-UHFFFAOYSA-N

Data  3 KI  4 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 = 50267295   

TargetCytochrome P450 1A2(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP1A2 assessed as phenacetin O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 assessed as Tolbutamide hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 assessed as S-mephenytion hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2D6 assessed as dextromethorphan O-demethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataKi:  66nMAssay Description:Inhibition of CYP3A4 assessed as midazolam 1'- hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataKi:  540nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetRenin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50267295(Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-5-((S)-2-(3-((6...)
Affinity DataKi: >2.00E+4nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed