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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50373666'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373666
PNG
(CHEMBL271718)
Show SMILES O[C@@H](CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N3O8/c35-25(30(40)41)17-33(13-14-34-27(36)22-9-3-7-20-8-4-10-23(26(20)22)28(34)37)31(42)32-24(29(38)39)16-18-11-12-19-5-1-2-6-21(19)15-18/h1-12,15,24-25,35H,13-14,16-17H2,(H,32,42)(H,38,39)(H,40,41)/t24-,25-/m0/s1
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair