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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50034845'   
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))
BDBM50034845
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES CO[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
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PC cid
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034845
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES CO[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair