Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50468529'   

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))	BDBM50468529 (CHEMBL1394372) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C22H24N4O4/c1-24-17-12-15(23-20(27)14-8-4-5-9-19(14)30-3)16(26-10-6-7-11-26)13-18(17)25(2)22(29)21(24)28/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	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
Peregrin (Homo sapiens (Human))	BDBM50468529 (CHEMBL1394372) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C22H24N4O4/c1-24-17-12-15(23-20(27)14-8-4-5-9-19(14)30-3)16(26-10-6-7-11-26)13-18(17)25(2)22(29)21(24)28/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan 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