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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50188503'   
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))
BDBM50188503
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propio...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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KEGG
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Biological activity was measured against Angiotensin I converting enzyme


J Med Chem 38: 2705-13 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4CSN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50188503
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propio...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.59E+10n/an/an/an/an/an/a



Tianjin University

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Eur J Med Chem 84: 100-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.015
BindingDB Entry DOI: 10.7270/Q29025F2
More data for this
Ligand-Target Pair