Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.9 BDBM50382922

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))	BDBM50382922 (CHEMBL2024197) Show SMILES Fc1ccc([C@@H]2CNC[C@H]2C(=O)N2CCC(CC2)c2ccnn2-c2ccc(F)c(Cl)c2)c(F)c1 |r| Show InChI InChI=1S/C25H24ClF3N4O/c26-21-12-17(2-4-22(21)28)33-24(5-8-31-33)15-6-9-32(10-7-15)25(34)20-14-30-13-19(20)18-3-1-16(27)11-23(18)29/h1-5,8,11-12,15,19-20,30H,6-7,9-10,13-14H2/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	2.5	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)	BDBM50382922 (CHEMBL2024197) Show SMILES Fc1ccc([C@@H]2CNC[C@H]2C(=O)N2CCC(CC2)c2ccnn2-c2ccc(F)c(Cl)c2)c(F)c1 |r| Show InChI InChI=1S/C25H24ClF3N4O/c26-21-12-17(2-4-22(21)28)33-24(5-8-31-33)15-6-9-32(10-7-15)25(34)20-14-30-13-19(20)18-3-1-16(27)11-23(18)29/h1-5,8,11-12,15,19-20,30H,6-7,9-10,13-14H2/t19-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	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