Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.9 BDBM300301

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))	BDBM300301 (US9593110, 7-8) Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1coc(n1)C1CC1)C(O)=O Show InChI InChI=1S/C27H28ClFN2O5/c1-2-35-14-19(27(33)34)12-21(30-25(32)24-15-36-26(31-24)18-7-8-18)11-16-3-5-17(6-4-16)22-13-20(28)9-10-23(22)29/h3-6,9-10,13,15,18-19,21H,2,7-8,11-12,14H2,1H3,(H,30,32)(H,33,34)/t19-,21+/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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