Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50468537'   

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
Peregrin (Homo sapiens (Human))	BDBM50468537 (CHEMBL4286098) Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(cc2n(C)c(=O)c1=O)N1CCOCC1 Show InChI InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged BRPF1 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay				Eur J Med Chem 155: 337-352 (2018) Article DOI: 10.1016/j.ejmech.2018.05.037 BindingDB Entry DOI: 10.7270/Q2FJ2KG7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50468537 (CHEMBL4286098) Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(cc2n(C)c(=O)c1=O)N1CCOCC1 Show InChI InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to N-terminal GST-tagged BRPF1 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetry				Eur J Med Chem 155: 337-352 (2018) Article DOI: 10.1016/j.ejmech.2018.05.037 BindingDB Entry DOI: 10.7270/Q2FJ2KG7
					More data for this Ligand-Target Pair				3D Structure (crystal)