Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50441677'   

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)	BDBM50441677 (CHEMBL2435702) Show SMILES Clc1ccc2c(NCCCCNc3c(NCCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1 Show InChI InChI=1S/C30H30Cl2N6O2/c31-19-5-7-21-23(9-15-35-25(21)17-19)33-11-1-3-13-37-27-28(30(40)29(27)39)38-14-4-2-12-34-24-10-16-36-26-18-20(32)6-8-22(24)26/h5-10,15-18,37-38H,1-4,11-14H2,(H,33,35)(H,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon. Av. Prof. Gama Pinto Curated by ChEMBL					Assay Description Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis				Eur J Med Chem 69: 365-72 (2013) Article DOI: 10.1016/j.ejmech.2013.08.037 BindingDB Entry DOI: 10.7270/Q2CN75BS
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