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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50018218'   
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))
BDBM50018218
PNG
((R,S)2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H22N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,24)(H,22,23)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



UA 498 CNRS

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP)


J Med Chem 31: 1825-31 (1988)


Article DOI: 10.1021/jm00117a025
BindingDB Entry DOI: 10.7270/Q2R49RC8
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50018218
PNG
((R,S)2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H22N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,24)(H,22,23)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]-D-Ala2-Leu-enkephalin as substrate


J Med Chem 32: 1497-503 (1989)


Article DOI: 10.1021/jm00127a017
BindingDB Entry DOI: 10.7270/Q2610Z9F
More data for this
Ligand-Target Pair