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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50118425'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Papain


(Carica papaya)		BDBM50118425
PNG
(CHEMBL263061 | Z-leu-Val-Agly-Val-OBzl)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O7/c1-20(2)17-25(33-32(42)44-19-24-15-11-8-12-16-24)28(38)34-26(21(3)4)29(39)36-37-31(41)35-27(22(5)6)30(40)43-18-23-13-9-7-10-14-23/h7-16,20-22,25-27H,17-19H2,1-6H3,(H,33,42)(H,34,38)(H,36,39)(H2,35,37,41)
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PC cid
PC sid
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Similars
PubMed
 6.70n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair