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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50197519'   
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))
BDBM50197519
PNG
((S)-2-{1-[3-(4-fluoro-phenyl)-propylcarbamoyl]-cyc...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H30FNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/a7.0n/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human kidney NEP at pH 7


Bioorg Med Chem 15: 142-59 (2006)


Article DOI: 10.1016/j.bmc.2006.10.002
BindingDB Entry DOI: 10.7270/Q2ZS2W4J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50197519
PNG
((S)-2-{1-[3-(4-fluoro-phenyl)-propylcarbamoyl]-cyc...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C21H30FNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/a7.4n/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human kidney NEP at pH 7.4


Bioorg Med Chem 15: 142-59 (2006)


Article DOI: 10.1016/j.bmc.2006.10.002
BindingDB Entry DOI: 10.7270/Q2ZS2W4J
More data for this
Ligand-Target Pair