BDBM17950 (2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide::ALISKIREN FUMARATE::Aliskiren::Aliskiren Hemifumarate::CHEMBL1639::Rasilez::TEKTURNA

SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC

InChI Key InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N

Data  37 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 17950   

TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMpH: 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
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of renin activity in human plasma by competitive radio immunoassayMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.5nMT: 2°CAssay Description:The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  2.30nMAssay Description:Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysisMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of purified recombinant human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
TargetCathepsin D(Bos taurus)
Nagasaki International University

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of bovine cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.530nMAssay Description:Inhibition of trypsin-activated human recombinant reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.650nMAssay Description:Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasmaMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of renin in plasmaMore data for this Ligand-Target Pair
TargetRenin(Rattus norvegicus)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  80nMAssay Description:Inhibition of rat reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin-1(Mus musculus)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  4.5nMAssay Description:Inhibition of mouse reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Oryctolagus cuniculus)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  11nMAssay Description:Inhibition of rabbit reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  2.21nMAssay Description:Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysisMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassayMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence methodMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human plasma renin activity after 60 mins by competitive RIAMore data for this Ligand-Target Pair
TargetRenin(Macaca fascicularis)
TBA

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  8nMAssay Description:Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIAMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.650nMAssay Description:Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassayMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.530nMAssay Description:Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetryMore data for this Ligand-Target Pair
TargetRenin(Macaca mulatta)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of renin in monkey plasmaMore data for this Ligand-Target Pair
TargetRenin(Rattus norvegicus)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  88nMAssay Description:Inhibition of renin in rat plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.840nMAssay Description:Inhibition of renin in human plasma by radioimmunoassayMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  3nMAssay Description:Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of recombinant human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of recombinant glycosylated human renin expressed in CHO cellsMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human recombinant reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of renin activity in human plasmaMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of human recombinant renin using Nma-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-Dnp substrate incubated for 1 hr by FRETMore data for this Ligand-Target Pair
TargetPepsin A(Porcine)
Novartis Pharmaceuticals

LigandPNGBDBM17950((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Affinity DataIC50: >1.00E+5nMpH: 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 DepthDetails ArticlePubMed