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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ACEI-ACE2' and Ligand = 'BDBM50027139'   
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))
BDBM50027139
PNG
(1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexano...)
Show SMILES Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H34N2O5/c1-23-11-8-9-16-26(23)31(37)33-27(21-24-12-4-2-5-13-24)29(35)18-19-30(36)34-20-10-17-28(34)32(38)39-22-25-14-6-3-7-15-25/h2-9,11-16,27-28H,10,17-22H2,1H3,(H,33,37)/t27?,28-/m0/s1
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Similars

Article
PubMed
n/an/a 1.60E+3n/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