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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 = 'BDBM50020793'   
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


(Oryctolagus cuniculus)
BDBM50020793
PNG
(CHEMBL23727 | [(4-Fluoro-phenyl)-(3-mercapto-2-met...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO3S/c1-8(7-18)12(17)14(6-11(15)16)10-4-2-9(13)3-5-10/h2-5,8,18H,6-7H2,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020793
PNG
(CHEMBL23727 | [(4-Fluoro-phenyl)-(3-mercapto-2-met...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H14FNO3S/c1-8(7-18)12(17)14(6-11(15)16)10-4-2-9(13)3-5-10/h2-5,8,18H,6-7H2,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3


J Med Chem 28: 57-66 (1985)


BindingDB Entry DOI: 10.7270/Q2M90975
More data for this
Ligand-Target Pair