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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50034866'   
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))
BDBM50034866
PNG
(2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pen...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation for 4 min at 37 degree C


J Med Chem 32: 2519-26 (1989)


BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50034866
PNG
(2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pen...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 18n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair