Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM459226

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))	BDBM459226 (2-Hydroxypyrimidine-5-carboxylic acid ((1R,3R)-1-b...) Show SMILES NC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cnc(O)nc1 |r| Show InChI InChI=1S/C22H22N4O4/c23-20(28)19(27)11-18(26-21(29)17-12-24-22(30)25-13-17)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18-19,27H,10-11H2,(H2,23,28)(H,26,29)(H,24,25,30)/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.5	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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