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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298286'   
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))
BDBM298286
PNG
(US10123984, Example 2F | US10744104, Example 2F | ...)
Show SMILES CCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClNO6/c1-2-29-21(28)19(25)23-17(12-18(24)20(26)27)10-13-6-8-14(9-7-13)15-4-3-5-16(22)11-15/h3-9,11,17-18,24H,2,10,12H2,1H3,(H,23,25)(H,26,27)/t17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
<1n/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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298286
PNG
(US10123984, Example 2F | US10744104, Example 2F | ...)
Show SMILES CCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClNO6/c1-2-29-21(28)19(25)23-17(12-18(24)20(26)27)10-13-6-8-14(9-7-13)15-4-3-5-16(22)11-15/h3-9,11,17-18,24H,2,10,12H2,1H3,(H,23,25)(H,26,27)/t17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
<1n/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