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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409592'   
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)		BDBM50409592
PNG
(CHEMBL2028908)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H51N11O8/c1-17(2)14-22(27(46)40-24(18(3)4)28(47)41-42-30(48)37-19(5)25(44)36-15-23(32)43)38-26(45)21(12-9-13-35-29(33)34)39-31(49)50-16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-22,24H,9,12-16H2,1-5H3,(H2,32,43)(H,36,44)(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H4,33,34,35)(H2,37,42,48)/t19-,21-,22-,24-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
 0.780n/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