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BDBM18282 (2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide::8-phenyl-octanecarboxamide peptidomimetic, 39

SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C

InChI Key: InChIKey=SLCBURKXFKCBTM-VZVHPENPSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM18282
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-7-{[3-(3-ethoxypropo...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C |r|
Show InChI InChI=1S/C28H50N2O5/c1-7-9-13-30-28(32)21(5)16-25(31)24(29)19-23(20(3)4)17-22-11-12-26(33-6)27(18-22)35-15-10-14-34-8-2/h11-12,18,20-21,23-25,31H,7-10,13-17,19,29H2,1-6H3,(H,30,32)/t21-,23+,24+,25+/m1/s1
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Similars

Article
PubMed
n/an/a 3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)