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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 243.3
BDBM50021301

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


(Rattus norvegicus)
BDBM50021301
PNG
(1-(2-Mercapto-cyclopentanecarbonyl)-pyrrolidine-2-...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1S
Show InChI InChI=1S/C11H17NO3S/c13-10(7-3-1-5-9(7)16)12-6-2-4-8(12)11(14)15/h7-9,16H,1-6H2,(H,14,15)/t7-,8-,9+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.06E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme


J Med Chem 29: 411-7 (1986)


BindingDB Entry DOI: 10.7270/Q218372M
More data for this
Ligand-Target Pair