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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-Converting Enzyme' and Monomerid = 50283613   
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))
BDBM50283613
PNG
((2S,4S)-1-[(S)-2-((S)-1-Carboxy-3-phenyl-propylami...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O6S/c1-18(29-23(27(34)35)13-12-19-8-4-2-5-9-19)26(33)31-16-22(15-24(31)28(36)37)30-25(32)21(17-38)14-20-10-6-3-7-11-20/h2-11,18,21-24,29,38H,12-17H2,1H3,(H,30,32)(H,34,35)(H,36,37)/t18-,21?,22-,23-,24-/m0/s1
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Similars

Article
n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair