Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM458412'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Neprilysin (Homo sapiens (Human))	BDBM458412 (US10744104, Example 8-4 | US11547687, Example 8-4) Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)NC(=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H20FNO6/c21-16-7-5-14(6-8-16)13-3-1-12(2-4-13)9-17(22-18(24)20(27)28)10-15(11-23)19(25)26/h1-8,15,17,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)/t15-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 US10744104 (2020) BindingDB Entry DOI: 10.7270/Q2PG1VT4
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