Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409591'   

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)	BDBM50409591 (CHEMBL2028922) Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H31N5O4/c1-16(2)21(23(32)25-15-19-12-8-5-9-13-19)27-24(33)29-28-22(31)20(26-17(3)30)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15H2,1-3H3,(H,25,32)(H,26,30)(H,28,31)(H2,27,29,33)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	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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