Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 556.0 BDBM50383435

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))	BDBM50383435 (CHEMBL2031580) Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-37(13-11-20)29(39)25-17-30(3,36(4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+,30-/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	1.10	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)	BDBM50383435 (CHEMBL2031580) Show SMILES CN(C)[C@]1(C)C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1nc(C)nn1-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C30H36ClF2N5O/c1-18-14-22(7-9-26(18)31)38-28(34-19(2)35-38)20-10-12-37(13-11-20)29(39)25-17-30(3,36(4)5)16-24(25)23-8-6-21(32)15-27(23)33/h6-9,14-15,20,24-25H,10-13,16-17H2,1-5H3/t24-,25+,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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