Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50437951'   

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
Papain (Carica papaya)	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of papain after using SucLLVYAMC as substrate by FRET assay				J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7
					More data for this Ligand-Target Pair