Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.0 BDBM50383434

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))	BDBM50383434 (CHEMBL2031581) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C28H32ClF2N5O/c1-16-12-20(5-7-24(16)29)36-26(33-17(2)34-36)18-8-10-35(11-9-18)27(37)23-15-28(3,32)14-22(23)21-6-4-19(30)13-25(21)31/h4-7,12-13,18,22-23H,8-11,14-15,32H2,1-3H3/t22-,23+,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	49.9	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
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50383434 (CHEMBL2031581) Show SMILES Cc1nc(C2CCN(CC2)C(=O)[C@@H]2C[C@@](C)(N)C[C@H]2c2ccc(F)cc2F)n(n1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C28H32ClF2N5O/c1-16-12-20(5-7-24(16)29)36-26(33-17(2)34-36)18-8-10-35(11-9-18)27(37)23-15-28(3,32)14-22(23)21-6-4-19(30)13-25(21)31/h4-7,12-13,18,22-23H,8-11,14-15,32H2,1-3H3/t22-,23+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85.1	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