Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.5 BDBM50383433

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))	BDBM50383433 (CHEMBL2031582) Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C29H33Cl2F2N5O/c1-17-34-27(38(35-17)26-13-19(30)5-8-24(26)31)18-9-11-37(12-10-18)28(39)23-16-29(2,36(3)4)15-22(23)21-7-6-20(32)14-25(21)33/h5-8,13-14,18,22-23H,9-12,15-16H2,1-4H3/t22-,23+,29-/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	1.60	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: 2818-22 (2012) Article DOI: 10.1016/j.bmcl.2012.02.077 BindingDB Entry DOI: 10.7270/Q2J967D7
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50383433 (CHEMBL2031582) Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C29H33Cl2F2N5O/c1-17-34-27(38(35-17)26-13-19(30)5-8-24(26)31)18-9-11-37(12-10-18)28(39)23-16-29(2,36(3)4)15-22(23)21-7-6-20(32)14-25(21)33/h5-8,13-14,18,22-23H,9-12,15-16H2,1-4H3/t22-,23+,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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: 2818-22 (2012) Article DOI: 10.1016/j.bmcl.2012.02.077 BindingDB Entry DOI: 10.7270/Q2J967D7
					More data for this Ligand-Target Pair