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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Monomerid = 50281462   
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))
BDBM50281462
PNG
((R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propiony...)
Show SMILES CC(C)C[C@@H](N1CCO[C@H]([C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O5S/c1-17(2)15-20(26(31)32)28-13-14-33-23(19-11-7-4-8-12-19)22(25(28)30)27-24(29)21(34)16-18-9-5-3-6-10-18/h3-12,17,20-23,34H,13-16H2,1-2H3,(H,27,29)(H,31,32)/t20-,21-,22+,23+/m1/s1
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PC cid
PC sid
UniChem
Article
3.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against neutral endopeptidase


Bioorg Med Chem Lett 3: 231-234 (1993)


Article DOI: 10.1016/S0960-894X(01)80882-9
BindingDB Entry DOI: 10.7270/Q21G0M5F
More data for this
Ligand-Target Pair