Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50441676'   

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)	BDBM50441676 (CHEMBL2435704) Show SMILES Clc1ccc2c(NCCNC(=O)[C@H](Cc3ccccc3)Nc3c(N[C@@H](Cc4ccccc4)C(=O)NCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1 |r| Show InChI InChI=1S/C44H40Cl2N8O4/c45-29-11-13-31-33(15-17-47-35(31)25-29)49-19-21-51-43(57)37(23-27-7-3-1-4-8-27)53-39-40(42(56)41(39)55)54-38(24-28-9-5-2-6-10-28)44(58)52-22-20-50-34-16-18-48-36-26-30(46)12-14-32(34)36/h1-18,25-26,37-38,53-54H,19-24H2,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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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