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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 = 'BDBM50403259'   
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))
BDBM50403259
PNG
(CHEMBL298388)
Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O4S2/c23-18(24)11-22-15-8-4-5-9-17(15)28-12-14(20(22)26)21-19(25)16(27)10-13-6-2-1-3-7-13/h1-9,14,16,27H,10-12H2,(H,21,25)(H,23,24)/t14-,16-/m0/s1
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Similars

Article
n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair