Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298320'   

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))	BDBM298320 (3-(N-Biphenyl-4-ylmethyl-N′-oxalylhydrazino)...) Show SMILES CC(O)(CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O Show InChI InChI=1S/C19H20N2O6/c1-19(27,18(25)26)12-21(20-16(22)17(23)24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,27H,11-12H2,1H3,(H,20,22)(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.5	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))	BDBM298320 (3-(N-Biphenyl-4-ylmethyl-N′-oxalylhydrazino)...) Show SMILES CC(O)(CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O Show InChI InChI=1S/C19H20N2O6/c1-19(27,18(25)26)12-21(20-16(22)17(23)24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,27H,11-12H2,1H3,(H,20,22)(H,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.5	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