Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.4 BDBM50365020

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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 (Mus musculus)	BDBM50365020 (CHEMBL1950788) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C26H27Cl2N7/c27-19-13-21-22(14-20(19)28)32-26(31-21)23-7-4-8-35(23)25-15-24(29-17-30-25)34-11-9-33(10-12-34)16-18-5-2-1-3-6-18/h1-3,5-6,13-15,17,23H,4,7-12,16H2,(H,31,32)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50365020 (CHEMBL1950788) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C26H27Cl2N7/c27-19-13-21-22(14-20(19)28)32-26(31-21)23-7-4-8-35(23)25-15-24(29-17-30-25)34-11-9-33(10-12-34)16-18-5-2-1-3-6-18/h1-3,5-6,13-15,17,23H,4,7-12,16H2,(H,31,32)/t23-/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	575	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50365020 (CHEMBL1950788) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C26H27Cl2N7/c27-19-13-21-22(14-20(19)28)32-26(31-21)23-7-4-8-35(23)25-15-24(29-17-30-25)34-11-9-33(10-12-34)16-18-5-2-1-3-6-18/h1-3,5-6,13-15,17,23H,4,7-12,16H2,(H,31,32)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PrCP assessed as angiotensin 3 cleavage after 8 mins by LC/MS analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair