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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50085455'   
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


(Rattus norvegicus (Rat))
BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair