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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 = 'BDBM50373662'   
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))
BDBM50373662
PNG
(CHEMBL256895)
Show SMILES O[C@@H](CN(Cc1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H28N2O6/c34-28(30(37)38)18-33(17-20-10-12-26-24(14-20)16-23-7-3-4-8-25(23)26)31(39)32-27(29(35)36)15-19-9-11-21-5-1-2-6-22(21)13-19/h1-14,27-28,34H,15-18H2,(H,32,39)(H,35,36)(H,37,38)/t27-,28-/m0/s1
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PC cid
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Article
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n/an/a 150n/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