Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.5 BDBM155351

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))	BDBM155351 (US9006268, 23) Show SMILES Fc1ccc(cc1)-c1nc(c(s1)C1CCN(CCc2ccccc2)CC1)-c1ccccn1 Show InChI InChI=1S/C27H26FN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	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 microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...				US Patent US9006268 (2015) BindingDB Entry DOI: 10.7270/Q2J38R9S
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