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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50282851'   
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


(Homo sapiens (Human))
BDBM50282851
PNG
((S)-2-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)19(14-30)11-16-7-3-2-4-8-16)22(27)25-13-18-10-6-5-9-17(18)12-20(25)23(28)29/h2-10,15,19-20,30H,11-14H2,1H3,(H,24,26)(H,28,29)/t15-,19+,20-/m0/s1
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Similars

n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50282851
PNG
((S)-2-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)19(14-30)11-16-7-3-2-4-8-16)22(27)25-13-18-10-6-5-9-17(18)12-20(25)23(28)29/h2-10,15,19-20,30H,11-14H2,1H3,(H,24,26)(H,28,29)/t15-,19+,20-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair