Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.0 BDBM50361775

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))	BDBM50361775 (CHEMBL1938511) Show SMILES C[C@H]([C@H](N)C(=O)NC(c1ccc(Cl)cc1)c1ccnc(C)c1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H28ClN3O/c1-19-18-25(16-17-32-19)28(24-12-14-26(30)15-13-24)33-29(34)27(31)20(2)21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-18,20,27-28H,31H2,1-2H3,(H,33,34)/t20-,27-,28?/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	45	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 (Homo sapiens (Human))	BDBM50361775 (CHEMBL1938511) Show SMILES C[C@H]([C@H](N)C(=O)NC(c1ccc(Cl)cc1)c1ccnc(C)c1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H28ClN3O/c1-19-18-25(16-17-32-19)28(24-12-14-26(30)15-13-24)33-29(34)27(31)20(2)21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-18,20,27-28H,31H2,1-2H3,(H,33,34)/t20-,27-,28?/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	45	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