Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.5 BDBM50269060

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))	BDBM50269060 (CHEMBL4098968) Show SMILES OC(=O)[C@@H](CC(=O)C1(S)CCCCC1)Cc1ccc(cc1)-c1ccsc1 |r| Show InChI InChI=1S/C21H24O3S2/c22-19(21(25)9-2-1-3-10-21)13-18(20(23)24)12-15-4-6-16(7-5-15)17-8-11-26-14-17/h4-8,11,14,18,25H,1-3,9-10,12-13H2,(H,23,24)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	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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