Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.4 BDBM50364688

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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 (Mus musculus)	BDBM50364688 (CHEMBL1951477) Show SMILES CC(C)(O)C(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C27H28Cl2N2O2/c1-26(2,32)25(18-7-4-3-5-8-18)31-13-10-27(11-14-31)24-22(9-6-12-30-24)23(33-27)19-15-20(28)17-21(29)16-19/h3-9,12,15-17,23,25,32H,10-11,13-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse PrCP				Bioorg Med Chem Lett 22: 1550-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.002 BindingDB Entry DOI: 10.7270/Q2JS9QXQ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50364688 (CHEMBL1951477) Show SMILES CC(C)(O)C(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C27H28Cl2N2O2/c1-26(2,32)25(18-7-4-3-5-8-18)31-13-10-27(11-14-31)24-22(9-6-12-30-24)23(33-27)19-15-20(28)17-21(29)16-19/h3-9,12,15-17,23,25,32H,10-11,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP				Bioorg Med Chem Lett 22: 1550-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.002 BindingDB Entry DOI: 10.7270/Q2JS9QXQ
					More data for this Ligand-Target Pair