Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 524.4 BDBM50364408

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))	BDBM50364408 (CHEMBL1950443) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C28H31Cl2N5O/c1-17(26-34-23-14-21(29)22(30)15-24(23)35-26)33-27(36)25(32-16-28(2,3)31)13-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,14-15,17,25,32H,13,16,31H2,1-3H3,(H,33,36)(H,34,35)/t17-,25-/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	1	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 for 30 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 22: 1774-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.064 BindingDB Entry DOI: 10.7270/Q27H1K28
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50364408 (CHEMBL1950443) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(C)(C)N)c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C28H31Cl2N5O/c1-17(26-34-23-14-21(29)22(30)15-24(23)35-26)33-27(36)25(32-16-28(2,3)31)13-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,14-15,17,25,32H,13,16,31H2,1-3H3,(H,33,36)(H,34,35)/t17-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PrCP-mediated angiotensin3 cleavage in mouse plasma using Mca-Ala-Lys-Dnp as substrate for 8 mins by LC/MS analysis				Bioorg Med Chem Lett 22: 1774-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.064 BindingDB Entry DOI: 10.7270/Q27H1K28
					More data for this Ligand-Target Pair