Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409583'   

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)	BDBM50409583 (CHEMBL2028921) Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C36H55N9O9/c1-9-22(6)29(33(49)42-28(21(4)5)34(50)53-8)43-35(51)45-44-32(48)27(16-25-17-37-19-38-25)41-31(47)26(15-20(2)3)40-30(46)23(7)39-36(52)54-18-24-13-11-10-12-14-24/h10-14,17,19-23,26-29H,9,15-16,18H2,1-8H3,(H,37,38)(H,39,52)(H,40,46)(H,41,47)(H,42,49)(H,44,48)(H2,43,45,51)/t22-,23-,26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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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