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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin/Angiotensin-converting enzyme' and Ligand = 'BDBM458423'   
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/Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM458423
PNG
(US10744104, Example 14F | US11547687, Example 14F ...)
Show SMILES CCOC(=O)C(=O)NN(C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H20ClFN2O6/c1-2-30-20(29)18(26)23-24(11-17(25)19(27)28)10-12-3-5-13(6-4-12)15-9-14(21)7-8-16(15)22/h3-9,17,25H,2,10-11H2,1H3,(H,23,26)(H,27,28)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
3.55n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2STK
More data for this
Ligand-Target Pair
Neprilysin/Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM458423
PNG
(US10744104, Example 14F | US11547687, Example 14F ...)
Show SMILES CCOC(=O)C(=O)NN(C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C20H20ClFN2O6/c1-2-30-20(29)18(26)23-24(11-17(25)19(27)28)10-12-3-5-13(6-4-12)15-9-14(21)7-8-16(15)22/h3-9,17,25H,2,10-11H2,1H3,(H,23,26)(H,27,28)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
5.5n/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