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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017975   
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))
BDBM50017125
PNG
(1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1
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Similars

Article
PubMed
132n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of somatic ACE N domain


Bioorg Med Chem Lett 16: 4616-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.004
BindingDB Entry DOI: 10.7270/Q2KP81SJ
More data for this
Ligand-Target Pair