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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50034864'   
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


(Rattus norvegicus (Rat))
BDBM50034864
PNG
((S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamino)-p...)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C21H23NO5/c23-19(11-13-21(26)27)22-18(10-12-20(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
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n/an/a 99n/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
Neprilysin


(Homo sapiens (Human))
BDBM50034864
PNG
((S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamino)-p...)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C21H23NO5/c23-19(11-13-21(26)27)22-18(10-12-20(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...


ACS Med Chem Lett 11: 188-194 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00578
BindingDB Entry DOI: 10.7270/Q2C82DK4
More data for this
Ligand-Target Pair