Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.3 BDBM50364668

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)	BDBM50364668 (CHEMBL1951457) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1 Show InChI InChI=1S/C24H21Cl2FN2O/c25-17-11-16(12-18(26)13-17)23-21-3-1-2-4-22(21)24(30-23)7-9-29(10-8-24)15-20-6-5-19(27)14-28-20/h1-6,11-14,23H,7-10,15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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))	BDBM50364668 (CHEMBL1951457) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1 Show InChI InChI=1S/C24H21Cl2FN2O/c25-17-11-16(12-18(26)13-17)23-21-3-1-2-4-22(21)24(30-23)7-9-29(10-8-24)15-20-6-5-19(27)14-28-20/h1-6,11-14,23H,7-10,15H2	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	11	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