Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298321'   

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))	BDBM298321 ((R)-3-[N-(3′-Chlorobiphenyl-4-ylmethyl)-N...) Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H17ClN2O6/c19-14-3-1-2-13(8-14)12-6-4-11(5-7-12)9-21(10-15(22)17(24)25)20-16(23)18(26)27/h1-8,15,22H,9-10H2,(H,20,23)(H,24,25)(H,26,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298321 ((R)-3-[N-(3′-Chlorobiphenyl-4-ylmethyl)-N...) Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H17ClN2O6/c19-14-3-1-2-13(8-14)12-6-4-11(5-7-12)9-21(10-15(22)17(24)25)20-16(23)18(26)27/h1-8,15,22H,9-10H2,(H,20,23)(H,24,25)(H,26,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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 US10123984 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair