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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50085459'   
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))
BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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Article
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 3n/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