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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 = 'BDBM298322'   
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))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC |r|
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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GoogleScholar
AffyNet 
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))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC |r|
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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