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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50197507'   
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))
BDBM50197507
PNG
((S)-4-methoxy-2-{1-[(1R,2S)-2-(4-methoxy-phenyl)-c...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H31NO5/c1-27-12-9-16(20(24)25)14-22(10-3-4-11-22)21(26)23-19-13-18(19)15-5-7-17(28-2)8-6-15/h5-8,16,18-19H,3-4,9-14H2,1-2H3,(H,23,26)(H,24,25)/t16-,18+,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.10n/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))
BDBM50197507
PNG
((S)-4-methoxy-2-{1-[(1R,2S)-2-(4-methoxy-phenyl)-c...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H31NO5/c1-27-12-9-16(20(24)25)14-22(10-3-4-11-22)21(26)23-19-13-18(19)15-5-7-17(28-2)8-6-15/h5-8,16,18-19H,3-4,9-14H2,1-2H3,(H,23,26)(H,24,25)/t16-,18+,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13.8n/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