Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.9 BDBM50382921

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 (Mus musculus)	BDBM50382921 (CHEMBL2024196 | US8569299, 5) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C26H26ClF3N4O/c1-15-10-25(34(32-15)18-3-5-23(29)22(27)12-18)16-6-8-33(9-7-16)26(35)21-14-31-13-20(21)19-4-2-17(28)11-24(19)30/h2-5,10-12,16,20-21,31H,6-9,13-14H2,1H3/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse PrCP				Bioorg Med Chem Lett 22: 2811-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.075 BindingDB Entry DOI: 10.7270/Q2T154PX
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50382921 (CHEMBL2024196 | US8569299, 5) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C26H26ClF3N4O/c1-15-10-25(34(32-15)18-3-5-23(29)22(27)12-18)16-6-8-33(9-7-16)26(35)21-14-31-13-20(21)19-4-2-17(28)11-24(19)30/h2-5,10-12,16,20-21,31H,6-9,13-14H2,1H3/t20-,21+/m0/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	10.7	n/a	n/a	n/a	n/a	5.5	37
Merck Sharp & Dohme Corp US Patent					Assay Description The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compo...				US Patent US8569299 (2013) BindingDB Entry DOI: 10.7270/Q2K9365V
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50382921 (CHEMBL2024196 | US8569299, 5) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C26H26ClF3N4O/c1-15-10-25(34(32-15)18-3-5-23(29)22(27)12-18)16-6-8-33(9-7-16)26(35)21-14-31-13-20(21)19-4-2-17(28)11-24(19)30/h2-5,10-12,16,20-21,31H,6-9,13-14H2,1H3/t20-,21+/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP				Bioorg Med Chem Lett 22: 2811-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.075 BindingDB Entry DOI: 10.7270/Q2T154PX
					More data for this Ligand-Target Pair