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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Papain' and Ligand = 'BDBM50409598'   
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)
BDBM50409598
PNG
(CHEMBL2028910)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)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/C39H57N7O9/c1-9-25(6)32(36(50)43-31(24(4)5)37(51)54-8)44-38(52)46-45-35(49)30(21-27-16-12-10-13-17-27)42-34(48)29(20-23(2)3)41-33(47)26(7)40-39(53)55-22-28-18-14-11-15-19-28/h10-19,23-26,29-32H,9,20-22H2,1-8H3,(H,40,53)(H,41,47)(H,42,48)(H,43,50)(H,45,49)(H2,44,46,52)/t25-,26-,29-,30-,31-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
0.120n/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