new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)' and Ligand = 'BDBM50371562'   
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 and K)


(Homo sapiens (Human))
BDBM50371562
PNG
(CHEMBL271992)
Show SMILES COc1ccc(cc1)S(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=NC(COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:12.13,c:27|
Show InChI InChI=1S/C36H30ClF3N4O7S/c1-50-25-13-15-26(16-14-25)52(48,49)19-7-18-41-32(45)21-44-31-11-6-5-10-27(31)33(23-8-3-2-4-9-23)42-30(34(44)46)22-51-35(47)43-29-17-12-24(37)20-28(29)36(38,39)40/h2-17,19-20,30H,18,21-22H2,1H3,(H,41,45)(H,43,47)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.90E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 51: 988-96 (2008)


Article DOI: 10.1021/jm701141u
BindingDB Entry DOI: 10.7270/Q2SX6F2M
More data for this
Ligand-Target Pair