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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409586'   
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)		BDBM50409586
PNG
(CHEMBL2028907)
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)OC |r|
Show InChI InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1
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PC cid
PC sid
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Similars
PubMed
 0.770n/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