Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006844
Substrate
n/a
Meas. Tech.
ChEBML_196307
IC50
0.320000±n/a nM
Citation
 Hamilton, H; Steinbaugh, B; Blankley, J; Taylor, M; Chan, OH; Stewart, B; Schroeder, R; Ryan, M; Rapundalo, S; Cook, J; Bernabei, A; Stewart, C Evaluation of the intestinal permeability and hepatic handling of peptidomimetic analogs Bioorg Med Chem Lett 3:813-818 (1993)    Article 
Target
Name:
Renin
Synonyms:
RENI_RAT | Ren | Ren1
Type:
PROTEIN
Mol. Mass.:
44272.67
Organism:
Rattus norvegicus
Description:
ChEMBL_222765
Residue:
402
Sequence:
MGGRRMPLWALLLLWTSCSFSLPTDTASFGRILLKKMPSVREILEERGVDMTRISAEWGEFIKKSSFTNVTSPVVLTNYLDTQYYGEIGIGTPSQTFKVIFDTGSANLWVPSTKCGPLYTACEIHNLYDSSESSSYMENGTEFTIHYGSGKVKGFLSQDVVTVGGIIVTQTFGEVTELPLIPFMLAKFDGVLGMGFPAQAVDGVIPVFDHILSQRVLKEEVFSVYYSRESHLLGGEVVLGGSDPQHYQGNFHYVSISKAGSWQITMKGVSVGPATLLCEEGCMAVVDTGTSYISGPTSSLQLIMQALGVKEKRANNYVVNCSQVPTLPDISFYLGGRTYTLSNMDYVQKNPFRNDDLCILALQGLDIPPPTGPVWVLGATFIRKFYTEFDRHNNRIGFALAR
  
Inhibitor
Name:
BDBM50006844
Synonyms:
(S)-N-[(S)-2-(2-Amino-thiazol-4-yl)-1-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide | (S)-N-{(1S,2S)-2-(2-Amino-thiazol-4-yl)-1-[1-((S)-cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexylcarbamoyl]-ethyl}-2-((R)-morpholine-4-sulfonylamino)-3-phenyl-propionamide | CHEMBL34894 | CI-992 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C33H52N6O7S2
Mol. Mass.:
708.932
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Structure:
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