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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 = 'BDBM50073118'   
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


(Oryctolagus cuniculus)
BDBM50073118
PNG
(CHEMBL319237 | [(S)-8-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CCCC1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C21H28N2O4S/c24-18(25)14-23-20(27)16(9-6-12-21(23)10-4-5-11-21)22-19(26)17(28)13-15-7-2-1-3-8-15/h1-3,7-8,16-17,28H,4-6,9-14H2,(H,22,26)(H,24,25)/t16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...


J Med Chem 42: 305-11 (1999)


Article DOI: 10.1021/jm980542f
BindingDB Entry DOI: 10.7270/Q2DV1J2V
More data for this
Ligand-Target Pair