Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409582'   

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)	BDBM50409582 (CHEMBL2028926) Show SMILES CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| Show InChI InChI=1S/C18H27N5O4/c1-11(2)15(17(26)19-4)21-18(27)23-22-16(25)14(20-12(3)24)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,19,26)(H,20,24)(H,22,25)(H2,21,23,27)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gda£?sk Curated by ChEMBL					Assay Description In vitro inhibition of papain.				J Med Chem 45: 4202-11 (2002) BindingDB Entry DOI: 10.7270/Q2NP23R8
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