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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 = 'BDBM50583449'   
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))
BDBM50583449
PNG
(CHEMBL5075705)
Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01924
BindingDB Entry DOI: 10.7270/Q2FT8QZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50583449
PNG
(CHEMBL5075705)
Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.79E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01924
BindingDB Entry DOI: 10.7270/Q2FT8QZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)