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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM459416'   
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))		BDBM459416
PNG
(US10759813, Example 19-21)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1Cl)NC(=O)c1ccc2nnn(OCOC=O)c2c1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O7/c27-20-4-2-1-3-19(20)15-5-6-16(21(28)10-15)9-18(12-24(34)26(36)37)29-25(35)17-7-8-22-23(11-17)32(31-30-22)39-14-38-13-33/h1-8,10-11,13,18,24,34H,9,12,14H2,(H,29,35)(H,36,37)/t18-,24-/m1/s1
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US Patent
<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...

US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair