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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298308'   
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))
BDBM298308
PNG
(US10123984, Example 8-3 | US10744104, Example 8-3 ...)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1Cl)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClNO6/c21-17-4-2-1-3-16(17)13-7-5-12(6-8-13)9-15(22-18(24)20(27)28)10-14(11-23)19(25)26/h1-8,14-15,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM298308
PNG
(US10123984, Example 8-3 | US10744104, Example 8-3 ...)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1Cl)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClNO6/c21-17-4-2-1-3-16(17)13-7-5-12(6-8-13)9-15(22-18(24)20(27)28)10-14(11-23)19(25)26/h1-8,14-15,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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