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SMILES: CCCCOc1c(NCCCC(C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O

InChI Key: InChIKey=OHSMLJZUTFSMMI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441675   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Papain


(Carica papaya)		BDBM50441675
PNG
(CHEMBL2435705)
Show SMILES CCCCOc1c(NCCCC(C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O
Show InChI InChI=1S/C23H29N3O4/c1-4-5-12-30-23-20(21(27)22(23)28)25-10-6-8-15(2)26-18-14-17(29-3)13-16-9-7-11-24-19(16)18/h7,9,11,13-15,25-26H,4-6,8,10,12H2,1-3H3
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Lisbon. Av. Prof. Gama Pinto

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis

Eur J Med Chem 69: 365-72 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.037
BindingDB Entry DOI: 10.7270/Q2CN75BS
More data for this
Ligand-Target Pair