Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.5 BDBM50269073

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))	BDBM50269073 (CHEMBL4074608) Show SMILES CC(S)C(=O)CC(Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C22H25NO4S/c1-14(22(26)27)23-21(25)19(13-20(24)15(2)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19,28H,12-13H2,1-2H3,(H,23,25)(H,26,27)/t14-,15?,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads Curated by ChEMBL					Assay Description Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...				Bioorg Med Chem Lett 27: 3883-3890 (2017) Article DOI: 10.1016/j.bmcl.2017.06.050 BindingDB Entry DOI: 10.7270/Q20V8G93
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