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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM93196'   
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


(Homo sapiens (Human))
BDBM93196
PNG
(Mercaptomethyl ketone Inhibitor, 45)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6](=O)-[#7]-1 |r|
Show InChI InChI=1S/C31H40N6O6S/c32-30(33)34-16-7-12-23(27(39)20-44-17-15-26(38)24-13-14-28(40)35-24)36-29(41)25(18-21-8-3-1-4-9-21)37-31(42)43-19-22-10-5-2-6-11-22/h1-6,8-11,23-25H,7,12-20H2,(H,35,40)(H,36,41)(H,37,42)(H4,32,33,34)/t23-,24?,25-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
13n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80 (2003)


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair