new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50046261'   
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))
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair