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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50035236'   
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
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair