Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409584'   

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)	BDBM50409584 (CHEMBL2028906) Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC |r| Show InChI InChI=1S/C49H74N12O10/c1-10-30(8)40(44(65)58-38(28(4)5)43(64)55-37(46(67)70-9)24-32-25-53-34-20-15-14-19-33(32)34)59-48(68)61-60-45(66)39(29(6)7)57-42(63)36(23-27(2)3)54-41(62)35(21-16-22-52-47(50)51)56-49(69)71-26-31-17-12-11-13-18-31/h11-15,17-20,25,27-30,35-40,53H,10,16,21-24,26H2,1-9H3,(H,54,62)(H,55,64)(H,56,69)(H,57,63)(H,58,65)(H,60,66)(H4,50,51,52)(H2,59,61,68)/t30-,35-,36-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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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