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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50034854'   
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


(Homo sapiens (Human))
BDBM50034854
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27NO5/c1-16(23(28)29)14-20(24-21(25)8-5-9-22(26)27)15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-13,16,20H,5,8-9,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t16-,20+/m1/s1
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US Patent
n/an/a 90n/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10123984 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DVB
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034854
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27NO5/c1-16(23(28)29)14-20(24-21(25)8-5-9-22(26)27)15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-13,16,20H,5,8-9,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t16-,20+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 90n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair