Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 440.4 BDBM50364678

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)	BDBM50364678 (CHEMBL1951467) Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1 Show InChI InChI=1S/C25H23F3N2O2/c26-25(27,28)31-19-10-8-18(9-11-19)17-30-15-12-24(13-16-30)21-6-2-1-5-20(21)23(32-24)22-7-3-4-14-29-22/h1-11,14,23H,12-13,15-17H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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))	BDBM50364678 (CHEMBL1951467) Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1 Show InChI InChI=1S/C25H23F3N2O2/c26-25(27,28)31-19-10-8-18(9-11-19)17-30-15-12-24(13-16-30)21-6-2-1-5-20(21)23(32-24)22-7-3-4-14-29-22/h1-11,14,23H,12-13,15-17H2	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	84	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