Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.4 BDBM50382917

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 (Homo sapiens (Human))	BDBM50382917 (CHEMBL2023214) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2F2N5O/c1-14-31-24(34(32-14)17-3-5-21(26)22(27)11-17)15-6-8-33(9-7-15)25(35)20-13-30-12-19(20)18-4-2-16(28)10-23(18)29/h2-5,10-11,15,19-20,30H,6-9,12-13H2,1H3/t19-,20+/m0/s1	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: 2811-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.075 BindingDB Entry DOI: 10.7270/Q2T154PX
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50382917 (CHEMBL2023214) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2F2N5O/c1-14-31-24(34(32-14)17-3-5-21(26)22(27)11-17)15-6-8-33(9-7-15)25(35)20-13-30-12-19(20)18-4-2-16(28)10-23(18)29/h2-5,10-11,15,19-20,30H,6-9,12-13H2,1H3/t19-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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: 2811-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.075 BindingDB Entry DOI: 10.7270/Q2T154PX
					More data for this Ligand-Target Pair