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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298284'   
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))
BDBM298284
PNG
((R)-5-Biphenyl-4-yl-2-hydroxy-4-(oxalylamino)penta...)
Show SMILES OC(C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H19NO6/c21-16(18(23)24)11-15(20-17(22)19(25)26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2,(H,20,22)(H,23,24)(H,25,26)/t15-,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
12.6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298284
PNG
((R)-5-Biphenyl-4-yl-2-hydroxy-4-(oxalylamino)penta...)
Show SMILES OC(C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H19NO6/c21-16(18(23)24)11-15(20-17(22)19(25)26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2,(H,20,22)(H,23,24)(H,25,26)/t15-,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
35.5n/an/an/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