BDBM17941 (2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpropane-2-)sulfonyl]propanamido]-3-(1H-imidazol-4-yl)propanamido]-N-butyl-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamide::CGP 38560

SMILES CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C

InChI Key InChIKey=GGKXIITZBSPCQP-UHFFFAOYSA-N

Data  1 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 17941   

TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 1nMpH: 7.2 T: 2°CAssay Description:In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPepsin A(Pig)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 8.20E+3nMpH: 2.0 T: 2°CAssay Description:In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed
TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 0.830nMAssay Description:Inhibition of monkey plasma reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Bovine)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of Bovine Cathepsin D.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetPepsin A(Pig)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 3.27E+4nMAssay Description:Compound was evaluated for the percent inhibition of pepsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 0.830nMAssay Description:Compound was evaluated for inhibition of plasma renin activity in humanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Bovine)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 1.38E+3nMAssay Description:Compound was evaluated for the percent inhibition of Cathepsin D in BovineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataIC50: 1.60nMAssay Description:In vitro inhibition of human renin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17941((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic protease renin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)