Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.0 BDBM50361770

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 (Homo sapiens (Human))	BDBM50361770 (CHEMBL1938506) Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H30ClF2N3O2/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)23(34-27(36)28(2,3)32)26(35)33-24(25(30)31)21-13-15-22(29)16-14-21/h4-17,23-25H,32H2,1-3H3,(H,33,35)(H,34,36)/t17-,23-,24?/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	3.80	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 continuous fluorometric assay				Bioorg Med Chem Lett 22: 658-65 (2011) Article DOI: 10.1016/j.bmcl.2011.10.060 BindingDB Entry DOI: 10.7270/Q2B56K50
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50361770 (CHEMBL1938506) Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H30ClF2N3O2/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)23(34-27(36)28(2,3)32)26(35)33-24(25(30)31)21-13-15-22(29)16-14-21/h4-17,23-25H,32H2,1-3H3,(H,33,35)(H,34,36)/t17-,23-,24?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	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 continuous fluorometric assay				Bioorg Med Chem Lett 22: 658-65 (2011) Article DOI: 10.1016/j.bmcl.2011.10.060 BindingDB Entry DOI: 10.7270/Q2B56K50
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50361770 (CHEMBL1938506) Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)NC(C(F)F)c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H30ClF2N3O2/c1-17(18-9-11-20(12-10-18)19-7-5-4-6-8-19)23(34-27(36)28(2,3)32)26(35)33-24(25(30)31)21-13-15-22(29)16-14-21/h4-17,23-25H,32H2,1-3H3,(H,33,35)(H,34,36)/t17-,23-,24?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PrCP-mediated conversion of Ang3 to Ang(2-7) in mouse plasma				Bioorg Med Chem Lett 22: 658-65 (2011) Article DOI: 10.1016/j.bmcl.2011.10.060 BindingDB Entry DOI: 10.7270/Q2B56K50
					More data for this Ligand-Target Pair