Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 524.6 BDBM50382907

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))	BDBM50382907 (CHEMBL2023203) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H35F3N4O/c1-19-15-28(37(34-19)23-8-5-21(31)6-9-23)20-11-13-35(14-12-20)29(38)26-18-36(30(2,3)4)17-25(26)24-10-7-22(32)16-27(24)33/h5-10,15-16,20,25-26H,11-14,17-18H2,1-4H3/t25-,26+/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	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
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50382907 (CHEMBL2023203) Show SMILES Cc1cc(C2CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H35F3N4O/c1-19-15-28(37(34-19)23-8-5-21(31)6-9-23)20-11-13-35(14-12-20)29(38)26-18-36(30(2,3)4)17-25(26)24-10-7-22(32)16-27(24)33/h5-10,15-16,20,25-26H,11-14,17-18H2,1-4H3/t25-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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