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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50018988
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Neprilysin
(Homo sapiens (Human))
BDBM50614468
(CHEMBL5272269)
Show SMILES
CC(C)C[C@H](N1Cc2ccccc2C[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI
PDB
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
0.400
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Neprilysin
(Homo sapiens (Human))
BDBM50024102
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES
OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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Purchase
CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
PDB
1.90
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
3D Structure (crystal)
Neprilysin
(Homo sapiens (Human))
BDBM50614464
(CHEMBL5281720)
Show SMILES
[H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)CS)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Neprilysin
(Homo sapiens (Human))
BDBM50614466
(CHEMBL5272537)
Show SMILES
[H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
>10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Neprilysin
(Homo sapiens (Human))
BDBM50614465
(CHEMBL5266415)
Show SMILES
CC(C)C[C@H](N1CCO[C@H]([C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
330
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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