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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50001787   
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)		BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
 2.50E+4n/an/an/an/an/an/a5.5n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair