Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peregrin' and Ligand = 'BDBM50159125'   

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))	BDBM50159125 (CHEMBL3786807) Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)c1 Show InChI InChI=1S/C21H29N3O5S/c1-7-24(8-2)30(28,29)15-9-10-17(26)16(11-15)23-21(27)20-18(12(3)4)19(14(6)25)13(5)22-20/h9-12,22,26H,7-8H2,1-6H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					Assay Description Binding affinity to partial length human BRPF1 by isothermal titration calorimetry				J Med Chem 59: 1518-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01267 BindingDB Entry DOI: 10.7270/Q27H1MHH
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