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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053835'   
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
Cathepsin B


(Bos taurus (bovine))
BDBM50053835
PNG
((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair