Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.9 BDBM50382916

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))	BDBM50382916 (CHEMBL2023213) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClF2N5O/c1-15-30-24(33(31-15)19-5-2-17(26)3-6-19)16-8-10-32(11-9-16)25(34)22-14-29-13-21(22)20-7-4-18(27)12-23(20)28/h2-7,12,16,21-22,29H,8-11,13-14H2,1H3/t21-,22+/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	33	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)	BDBM50382916 (CHEMBL2023213) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClF2N5O/c1-15-30-24(33(31-15)19-5-2-17(26)3-6-19)16-8-10-32(11-9-16)25(34)22-14-29-13-21(22)20-7-4-18(27)12-23(20)28/h2-7,12,16,21-22,29H,8-11,13-14H2,1H3/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	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