Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 631.5 BDBM50338005

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))	BDBM50338005 (1-(3-((S)-2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)C(=O)C1 |r| Show InChI InChI=1S/C28H28Cl2N6O5S/c1-42(39,40)18-6-4-16(5-7-18)26-33-28(41-34-26)17-8-11-35(25(38)13-17)12-9-24(37)36-10-2-3-23(36)27-31-21-14-19(29)20(30)15-22(21)32-27/h4-7,14-15,17,23H,2-3,8-13H2,1H3,(H,31,32)/t17?,23-/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	8.5	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 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50338005 (1-(3-((S)-2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)C(=O)C1 |r| Show InChI InChI=1S/C28H28Cl2N6O5S/c1-42(39,40)18-6-4-16(5-7-18)26-33-28(41-34-26)17-8-11-35(25(38)13-17)12-9-24(37)36-10-2-3-23(36)27-31-21-14-19(29)20(30)15-22(21)32-27/h4-7,14-15,17,23H,2-3,8-13H2,1H3,(H,31,32)/t17?,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair