Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.8 BDBM50364683

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 (Homo sapiens (Human))	BDBM50364683 (CHEMBL1951472) Show SMILES CC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(F)cn1 Show InChI InChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3	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	9.5	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 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)	BDBM50364683 (CHEMBL1951472) Show SMILES CC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(F)cn1 Show InChI InChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.6	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 (Mus musculus)	BDBM50364683 (CHEMBL1951472) Show SMILES CC(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(F)cn1 Show InChI InChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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