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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM155343'   
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))
BDBM155343
PNG
(US9006249, Example 49-2 | US9603819, Example 49-2)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C23H22ClN3O5/c1-13(22(29)30)9-18(25-21(28)19-12-20(23(31)32)27-26-19)10-14-5-7-15(8-6-14)16-3-2-4-17(24)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t13-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9603819 (2017)


BindingDB Entry DOI: 10.7270/Q20V8FVV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155343
PNG
(US9006249, Example 49-2 | US9603819, Example 49-2)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C23H22ClN3O5/c1-13(22(29)30)9-18(25-21(28)19-12-20(23(31)32)27-26-19)10-14-5-7-15(8-6-14)16-3-2-4-17(24)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t13-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9H0R
More data for this
Ligand-Target Pair