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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3
BDBM50367148

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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)
BDBM50367148
PNG
(CHEMBL1744336)
Show SMILES CC(CS)C(=O)N1C(Cc2cc(O)ccc12)C(O)=O
Show InChI InChI=1S/C13H15NO4S/c1-7(6-19)12(16)14-10-3-2-9(15)4-8(10)5-11(14)13(17)18/h2-4,7,11,15,19H,5-6H2,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 20n/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