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BDBM18312 (2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethyl-N-[4-(morpholin-4-yl)-4-oxobutyl]nonanamide::8-phenyl-octanecarboxamide peptidomimetic, 69

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC

InChI Key: InChIKey=VUPWQHVVJYLHCF-BDGPUAICSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18312   
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))
BDBM18312
PNG
((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C31H53N3O7/c1-22(2)25(19-24-9-10-28(39-5)29(20-24)41-15-7-14-38-4)21-26(32)27(35)18-23(3)31(37)33-11-6-8-30(36)34-12-16-40-17-13-34/h9-10,20,22-23,25-27,35H,6-8,11-19,21,32H2,1-5H3,(H,33,37)/t23-,25+,26+,27+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



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