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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409583'   
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)
BDBM50409583
PNG
(CHEMBL2028921)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H55N9O9/c1-9-22(6)29(33(49)42-28(21(4)5)34(50)53-8)43-35(51)45-44-32(48)27(16-25-17-37-19-38-25)41-31(47)26(15-20(2)3)40-30(46)23(7)39-36(52)54-18-24-13-11-10-12-14-24/h10-14,17,19-23,26-29H,9,15-16,18H2,1-8H3,(H,37,38)(H,39,52)(H,40,46)(H,41,47)(H,42,49)(H,44,48)(H2,43,45,51)/t22-,23-,26-,27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.580n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair