Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 542.0 BDBM50383436

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))	BDBM50383436 (CHEMBL2031579) Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C29H34ClF2N5O/c1-17-13-21(6-8-26(17)30)37-28(33-18(2)34-37)19-9-11-36(12-10-19)29(38)25-16-22(35(3)4)15-24(25)23-7-5-20(31)14-27(23)32/h5-8,13-14,19,22,24-25H,9-12,15-16H2,1-4H3/t22-,24+,25-/m1/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	12.5	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: 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)	BDBM50383436 (CHEMBL2031579) Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C29H34ClF2N5O/c1-17-13-21(6-8-26(17)30)37-28(33-18(2)34-37)19-9-11-36(12-10-19)29(38)25-16-22(35(3)4)15-24(25)23-7-5-20(31)14-27(23)32/h5-8,13-14,19,22,24-25H,9-12,15-16H2,1-4H3/t22-,24+,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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