Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM298325'   

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))	BDBM298325 ((2R,4S)-5-Biphenyl-4-yl-2-hydroxy-5-methyl-4-(oxal...) Show SMILES CC(C)([C@H](C[C@@H](O)C(O)=O)NC(=O)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H23NO6/c1-21(2,17(12-16(23)19(25)26)22-18(24)20(27)28)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17,23H,12H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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))	BDBM298325 ((2R,4S)-5-Biphenyl-4-yl-2-hydroxy-5-methyl-4-(oxal...) Show SMILES CC(C)([C@H](C[C@@H](O)C(O)=O)NC(=O)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H23NO6/c1-21(2,17(12-16(23)19(25)26)22-18(24)20(27)28)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17,23H,12H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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