Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532 BDBM50383431

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 (Mus musculus)	BDBM50383431 (CHEMBL2031585) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C27H29ClF3N5O/c1-15-33-25(36(34-15)18-4-6-23(30)22(28)12-18)16-7-9-35(10-8-16)26(37)21-14-27(2,32)13-20(21)19-5-3-17(29)11-24(19)31/h3-6,11-12,16,20-21H,7-10,13-14,32H2,1-2H3/t20-,21+,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	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: 2818-22 (2012) Article DOI: 10.1016/j.bmcl.2012.02.077 BindingDB Entry DOI: 10.7270/Q2J967D7
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50383431 (CHEMBL2031585) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C27H29ClF3N5O/c1-15-33-25(36(34-15)18-4-6-23(30)22(28)12-18)16-7-9-35(10-8-16)26(37)21-14-27(2,32)13-20(21)19-5-3-17(29)11-24(19)31/h3-6,11-12,16,20-21H,7-10,13-14,32H2,1-2H3/t20-,21+,27-/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	12.1	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: 2818-22 (2012) Article DOI: 10.1016/j.bmcl.2012.02.077 BindingDB Entry DOI: 10.7270/Q2J967D7
					More data for this Ligand-Target Pair