Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.9 BDBM50443346

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))	BDBM50443346 (CHEMBL3086042) Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1cnccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-5-1-19(2-6-21)25-17-23(34-13-15-36-16-14-34)9-10-24(25)28(35)33-27(26-18-31-11-12-32-26)20-3-7-22(30)8-4-20/h1-8,11-12,18,23-25,27H,9-10,13-17H2,(H,33,35)/t23-,24-,25+,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 6228-33 (2013) Article DOI: 10.1016/j.bmcl.2013.09.094 BindingDB Entry DOI: 10.7270/Q2DZ09Q4
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50443346 (CHEMBL3086042) Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1cnccn1 |r| Show InChI InChI=1S/C28H30BrClN4O2/c29-21-5-1-19(2-6-21)25-17-23(34-13-15-36-16-14-34)9-10-24(25)28(35)33-27(26-18-31-11-12-32-26)20-3-7-22(30)8-4-20/h1-8,11-12,18,23-25,27H,9-10,13-17H2,(H,33,35)/t23-,24-,25+,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assay				Bioorg Med Chem Lett 23: 6228-33 (2013) Article DOI: 10.1016/j.bmcl.2013.09.094 BindingDB Entry DOI: 10.7270/Q2DZ09Q4
					More data for this Ligand-Target Pair