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](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

InChI Key InChIKey=UXIGZRQVLGFTOU-VQXQMPIVSA-N

Data  1 KI  2 IC50  1 Kd

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 4 hits for monomerid = 50077669   

TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity against aspartic protease renin.Checked by AuthorMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Affinity DataKd:  0.131nMAssay Description:Binding affinity to renin (unknown origin)More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Affinity DataIC50:  0.0250nMAssay Description:In vitro inhibitory activity against purified recombinant human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50077669((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair