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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 = 'BDBM458421'   
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))
BDBM458421
PNG
(US10744104, Example 14A | US11547687, Example 14A ...)
Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H16ClFN2O6/c19-12-5-6-14(20)13(7-12)11-3-1-10(2-4-11)8-22(9-15(23)17(25)26)21-16(24)18(27)28/h1-7,15,23H,8-9H2,(H,21,24)(H,25,26)(H,27,28)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
<1n/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/Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM458421
PNG
(US10744104, Example 14A | US11547687, Example 14A ...)
Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H16ClFN2O6/c19-12-5-6-14(20)13(7-12)11-3-1-10(2-4-11)8-22(9-15(23)17(25)26)21-16(24)18(27)28/h1-7,15,23H,8-9H2,(H,21,24)(H,25,26)(H,27,28)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
<1n/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