Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.9 BDBM300293

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))	BDBM300293 (US9593110, 21-7) Show SMILES NC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cnsc1)C(O)=O Show InChI InChI=1S/C22H21ClFN3O3S/c23-17-5-6-20(24)19(9-17)14-3-1-13(2-4-14)7-18(8-15(10-25)22(29)30)27-21(28)16-11-26-31-12-16/h1-6,9,11-12,15,18H,7-8,10,25H2,(H,27,28)(H,29,30)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
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