Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM235959

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
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM235959 (US9365539, 81) Show SMILES CO[C@@H](CN1CCC(CC1)c1nc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27FN6O/c1-34-23(19-6-3-2-4-7-19)18-32-16-12-21(13-17-32)25-30-24(20-8-10-22(27)11-9-20)31-33(25)26-28-14-5-15-29-26/h2-11,14-15,21,23H,12-13,16-18H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	5.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ...				US Patent US9365539 (2016) BindingDB Entry DOI: 10.7270/Q22B8WXK
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