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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053799'   
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))
BDBM50053799
PNG
(CHEMBL134092 | [1-(1-{2-Hydroxy-2-[3-(3-trifluorom...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H38F3N3O7/c1-4-27(39-31(43)28(16-21(2)3)40-33(45)46-20-22-10-6-5-7-11-22)30(42)32(44)38-19-29(41)23-12-8-14-25(17-23)47-26-15-9-13-24(18-26)34(35,36)37/h5-15,17-18,21,27-29,41H,4,16,19-20H2,1-3H3,(H,38,44)(H,39,43)(H,40,45)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/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