BDBM50003165 1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazinan-4-ylmethyl)-4,10,14-trioxo-(1S,8R,11R,12S)-3,9-dioxa-13-azacyclotetradecanylcarbamoyl]-2-phenyl-(1S)-ethyl]-3-amino-3-methylbutanamide.trifluoroacetate::CID44348732::morpholinomethyl macrocycle derivative 35

SMILES CC(C)(N)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O

InChI Key InChIKey=ZSPUXSIPYOHJGU-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50003165   

TargetRenin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50003165(1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazi...)
Affinity DataIC50: 1.10nMpH: 7.4Assay Description:Inhibitory activity against human renin inhibition (at pH 7.4)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed