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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 = 'BDBM298295'   
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))
BDBM298295
PNG
(BDBM582703 | US10123984, Example 3A | US10123984, ...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H17Cl2NO6/c20-12-5-6-15(21)14(8-12)11-3-1-10(2-4-11)7-13(9-16(23)18(25)26)22-17(24)19(27)28/h1-6,8,13,16,23H,7,9H2,(H,22,24)(H,25,26)(H,27,28)/t13-,16-/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))
BDBM298295
PNG
(BDBM582703 | US10123984, Example 3A | US10123984, ...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H17Cl2NO6/c20-12-5-6-15(21)14(8-12)11-3-1-10(2-4-11)7-13(9-16(23)18(25)26)22-17(24)19(27)28/h1-6,8,13,16,23H,7,9H2,(H,22,24)(H,25,26)(H,27,28)/t13-,16-/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