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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50287150'   
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))
BDBM50287150
PNG
(2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phe...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C32H39N2O7P/c1-3-23(2)29(31(36)37)34-30(35)27(19-24-13-7-4-8-14-24)22-42(39,40)28(20-25-15-9-5-10-16-25)33-32(38)41-21-26-17-11-6-12-18-26/h4-18,23,27-29H,3,19-22H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)(H,39,40)/t23?,27?,28-,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair