Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.4 BDBM235958

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))	BDBM235958 (US9365539, 68) Show SMILES Fc1ccc(cc1)-c1cc(C2CCN(CC2)C(=O)Cc2ccccc2C(F)(F)F)n(n1)-c1ncccn1 Show InChI InChI=1S/C27H23F4N5O/c28-21-8-6-18(7-9-21)23-17-24(36(34-23)26-32-12-3-13-33-26)19-10-14-35(15-11-19)25(37)16-20-4-1-2-5-22(20)27(29,30)31/h1-9,12-13,17,19H,10-11,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	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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