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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neprilysin/Angiotensin-converting enzyme' and Ligand = 'BDBM298305'   
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))
BDBM298305
PNG
(US10123984, Example 6A | US10744104, Example 6A | ...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H21NO6/c22-12-16(19(24)25)11-17(21-18(23)20(26)27)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)(H,24,25)(H,26,27)/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.631n/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))
BDBM298305
PNG
(US10123984, Example 6A | US10744104, Example 6A | ...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H21NO6/c22-12-16(19(24)25)11-17(21-18(23)20(26)27)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)(H,24,25)(H,26,27)/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM298305
PNG
(US10123984, Example 6A | US10744104, Example 6A | ...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H21NO6/c22-12-16(19(24)25)11-17(21-18(23)20(26)27)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)(H,24,25)(H,26,27)/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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