BDBM50077669 (S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide::2-Benzyl-N-[1-(1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide(remikiren)::CHEMBL31601::Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide::REMIKIREN

SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O

InChI Key InChIKey=UXIGZRQVLGFTOU-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 Kd

  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 4 hits for monomerid = 50077669   

TargetRenin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
Affinity DataIC50: 0.0250nMAssay Description:In vitro inhibitory activity against purified recombinant human reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRenin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetRenin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
Affinity DataKd:  0.131nMAssay Description:Binding affinity to renin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetRenin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50077669(CHEMBL31601 | 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-...)
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
PubMed