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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50283645'   
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))
BDBM50283645
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-phenyl-2-[((R)-phosph...)
Show SMILES C[C@@H]([C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C26H29N2O6P/c1-18(20-8-4-2-5-9-20)24(27-17-35(32,33)34)25(29)28-23(26(30)31)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23-24,27H,16-17H2,1H3,(H,28,29)(H,30,31)(H2,32,33,34)/t18-,23+,24+/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair