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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 = 'BDBM50406370'   
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))
BDBM50406370
PNG
(CHEMBL34832)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C27H37N2O6PS/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)37-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1
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PubMed
n/an/a 0.525n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair