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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18305'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM18305
PNG
(4-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCOC(C)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C29H50N2O7/c1-20(2)24(17-23-10-11-27(36-6)28(18-23)38-15-9-13-35-5)19-25(30)26(33)16-21(3)29(34)31-12-7-8-14-37-22(4)32/h10-11,18,20-21,24-26,33H,7-9,12-17,19,30H2,1-6H3,(H,31,34)/t21-,24+,25+,26+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 6n/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