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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50281657'   
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))
BDBM50281657
PNG
(CHEMBL434492 | Candoxatrilat | candoxatrilate | ci...)
Show SMILES COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O |wU:19.23,16.16,wD:6.6,(3.37,-.79,;4.72,-1.56,;4.72,-3.1,;6.05,-3.87,;6.05,-5.41,;7.38,-6.18,;7.38,-7.71,;8.48,-8.8,;9.96,-8.4,;11.29,-7.61,;10.97,-6.11,;9.43,-5.96,;8.82,-7.37,;11.02,-9.52,;11.02,-11.06,;12.35,-8.75,;13.68,-9.52,;15.01,-8.73,;16.34,-9.5,;16.34,-11.04,;15,-11.81,;13.68,-11.04,;17.67,-11.83,;19,-11.07,;17.67,-13.37,;6.05,-8.49,;4.72,-7.71,;6.05,-10.03,)|
Show InChI InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair