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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053860'   
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))
BDBM50053860
PNG
(CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.100n/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