Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM50443349'   

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))	BDBM50443349 (CHEMBL3086039 | US8669252, 19) Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r| Show InChI InChI=1S/C29H30BrCl2N3O2/c30-21-5-1-19(2-6-21)26-17-23(35-13-15-37-16-14-35)9-10-24(26)29(36)34-28(20-3-7-22(31)8-4-20)25-11-12-33-18-27(25)32/h1-8,11-12,18,23-24,26,28H,9-10,13-17H2,(H,34,36)/t23-,24-,26+,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...				US Patent US8669252 (2014) BindingDB Entry DOI: 10.7270/Q2J9652X
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50443349 (CHEMBL3086039 | US8669252, 19) Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r| Show InChI InChI=1S/C29H30BrCl2N3O2/c30-21-5-1-19(2-6-21)26-17-23(35-13-15-37-16-14-35)9-10-24(26)29(36)34-28(20-3-7-22(31)8-4-20)25-11-12-33-18-27(25)32/h1-8,11-12,18,23-24,26,28H,9-10,13-17H2,(H,34,36)/t23-,24-,26+,28?/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	2.70	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)	BDBM50443349 (CHEMBL3086039 | US8669252, 19) Show SMILES Clc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(Br)cc1)N1CCOCC1)c1ccncc1Cl |r| Show InChI InChI=1S/C29H30BrCl2N3O2/c30-21-5-1-19(2-6-21)26-17-23(35-13-15-37-16-14-35)9-10-24(26)29(36)34-28(20-3-7-22(31)8-4-20)25-11-12-33-18-27(25)32/h1-8,11-12,18,23-24,26,28H,9-10,13-17H2,(H,34,36)/t23-,24-,26+,28?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	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