Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.0 BDBM235956

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))	BDBM235956 (US9365539, 48) Show SMILES Clc1ccc(cc1)-c1cc(C2CCN(CC2)c2ccc(cn2)S(=O)(=O)N2CCOCC2)n(n1)-c1ncccn1 Show InChI InChI=1S/C27H28ClN7O3S/c28-22-4-2-20(3-5-22)24-18-25(35(32-24)27-29-10-1-11-30-27)21-8-12-33(13-9-21)26-7-6-23(19-31-26)39(36,37)34-14-16-38-17-15-34/h1-7,10-11,18-19,21H,8-9,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80.2	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
					More data for this Ligand-Target Pair