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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.4
BDBM50367151

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)
BDBM50367151
PNG
(CHEMBL1744317)
Show SMILES CCOc1ccc(cc1OCC)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C16H23NO5S/c1-4-21-13-7-6-12(8-14(13)22-5-2)17(9-15(18)19)16(20)11(3)10-23/h6-8,11,23H,4-5,9-10H2,1-3H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 30n/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