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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 300.3
BDBM50049795

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50049795
PNG
(CHEMBL3322008)
Show SMILES NCCCC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C13H24N4O4/c14-6-2-1-4-9(16-11(18)8-15)12(19)17-7-3-5-10(17)13(20)21/h9-10H,1-8,14-15H2,(H,16,18)(H,20,21)/t9-,10-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.54E+8n/an/an/an/an/an/a



Tianjin University

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Eur J Med Chem 84: 100-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.015
BindingDB Entry DOI: 10.7270/Q29025F2
More data for this
Ligand-Target Pair