Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.3 BDBM50364667

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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)	BDBM50364667 (CHEMBL1951455) Show SMILES Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3cc4ccccc4o3)CC2)c2ccccc12 Show InChI InChI=1S/C27H23Cl2NO2/c28-20-13-19(14-21(29)16-20)26-23-6-2-3-7-24(23)27(32-26)9-11-30(12-10-27)17-22-15-18-5-1-4-8-25(18)31-22/h1-8,13-16,26H,9-12,17H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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: 1550-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.002 BindingDB Entry DOI: 10.7270/Q2JS9QXQ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50364667 (CHEMBL1951455) Show SMILES Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3cc4ccccc4o3)CC2)c2ccccc12 Show InChI InChI=1S/C27H23Cl2NO2/c28-20-13-19(14-21(29)16-20)26-23-6-2-3-7-24(23)27(32-26)9-11-30(12-10-27)17-22-15-18-5-1-4-8-25(18)31-22/h1-8,13-16,26H,9-12,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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: 1550-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.002 BindingDB Entry DOI: 10.7270/Q2JS9QXQ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50364667 (CHEMBL1951455) Show SMILES Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3cc4ccccc4o3)CC2)c2ccccc12 Show InChI InChI=1S/C27H23Cl2NO2/c28-20-13-19(14-21(29)16-20)26-23-6-2-3-7-24(23)27(32-26)9-11-30(12-10-27)17-22-15-18-5-1-4-8-25(18)31-22/h1-8,13-16,26H,9-12,17H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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 by whole serum shift assay				Bioorg Med Chem Lett 22: 1550-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.002 BindingDB Entry DOI: 10.7270/Q2JS9QXQ
					More data for this Ligand-Target Pair