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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 = 'BDBM298294'   
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))
BDBM298294
PNG
(US10123984, Example 2V | US10744104, Example 2V | ...)
Show SMILES CCOCCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO7/c1-2-32-11-4-12-33-24(31)22(28)26-20(15-21(27)23(29)30)13-16-7-9-17(10-8-16)18-5-3-6-19(25)14-18/h3,5-10,14,20-21,27H,2,4,11-13,15H2,1H3,(H,26,28)(H,29,30)/t20-,21-/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))
BDBM298294
PNG
(US10123984, Example 2V | US10744104, Example 2V | ...)
Show SMILES CCOCCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO7/c1-2-32-11-4-12-33-24(31)22(28)26-20(15-21(27)23(29)30)13-16-7-9-17(10-8-16)18-5-3-6-19(25)14-18/h3,5-10,14,20-21,27H,2,4,11-13,15H2,1H3,(H,26,28)(H,29,30)/t20-,21-/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