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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50403263'   
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))
BDBM50403263
PNG
(CHEMBL48534)
Show SMILES CC(S)(Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O4S/c1-22(29,13-15-7-3-2-4-8-15)21(28)23-17-12-11-16-9-5-6-10-18(16)24(20(17)27)14-19(25)26/h2-10,17,29H,11-14H2,1H3,(H,23,28)(H,25,26)/t17-,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 865n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Neutral Endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1795-1800 (1994)


Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403263
PNG
(CHEMBL48534)
Show SMILES CC(S)(Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O4S/c1-22(29,13-15-7-3-2-4-8-15)21(28)23-17-12-11-16-9-5-6-10-18(16)24(20(17)27)14-19(25)26/h2-10,17,29H,11-14H2,1H3,(H,23,28)(H,25,26)/t17-,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Neutral Endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1795-1800 (1994)


Article DOI: 10.1016/S0960-894X(01)80373-5
BindingDB Entry DOI: 10.7270/Q2Z60Q76
More data for this
Ligand-Target Pair