Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.3 BDBM459257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM459257 (US10759813, Example 12-11) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(no1)-c1cc(Cl)ccc1Cl)C(O)=O Show InChI InChI=1S/C27H22Cl2N2O5/c28-19-10-11-22(29)21(13-19)23-15-25(36-31-23)26(33)30-20(14-24(32)27(34)35)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	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 US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
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