Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM50365034'   

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))	BDBM50365034 (CHEMBL1950905) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(Cn2cccn2)CC1 |r| Show InChI InChI=1S/C24H26Cl2N8/c25-17-11-19-20(12-18(17)26)31-24(30-19)21-3-1-8-34(21)23-13-22(27-15-28-23)32-9-4-16(5-10-32)14-33-7-2-6-29-33/h2,6-7,11-13,15-16,21H,1,3-5,8-10,14H2,(H,30,31)/t21-/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	32	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)	BDBM50365034 (CHEMBL1950905) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(Cn2cccn2)CC1 |r| Show InChI InChI=1S/C24H26Cl2N8/c25-17-11-19-20(12-18(17)26)31-24(30-19)21-3-1-8-34(21)23-13-22(27-15-28-23)32-9-4-16(5-10-32)14-33-7-2-6-29-33/h2,6-7,11-13,15-16,21H,1,3-5,8-10,14H2,(H,30,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	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 (Mus musculus)	BDBM50365034 (CHEMBL1950905) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1c1cc(ncn1)N1CCC(Cn2cccn2)CC1 |r| Show InChI InChI=1S/C24H26Cl2N8/c25-17-11-19-20(12-18(17)26)31-24(30-19)21-3-1-8-34(21)23-13-22(27-15-28-23)32-9-4-16(5-10-32)14-33-7-2-6-29-33/h2,6-7,11-13,15-16,21H,1,3-5,8-10,14H2,(H,30,31)/t21-/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