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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ACEI-ACE2' and Ligand = 'BDBM50027149'   
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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027149
PNG
(2-(5-Benzoylamino-4-oxo-6-phenyl-hexanoylamino)-3-...)
Show SMILES O=C(CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)NC(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C35H34N2O5/c38-32(30(23-26-13-5-1-6-14-26)37-34(40)29-19-11-4-12-20-29)21-22-33(39)36-31(24-27-15-7-2-8-16-27)35(41)42-25-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,36,39)(H,37,40)
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Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair