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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM120829'   
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


(Capra hircus (Goat))
BDBM120829
PNG
(N-formyl-5-(-4'-nitrophenyl)-3-phenylpyrazolin...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CC(=NN1C=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C16H13N3O3/c20-11-18-16(13-6-8-14(9-7-13)19(21)22)10-15(17-18)12-4-2-1-3-5-12/h1-9,11,16H,10H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.113 -59.1n/an/an/an/an/a6.037



Kurukshetra University



Assay Description
Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...


Bioorg Chem 57: 43-50 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.012
BindingDB Entry DOI: 10.7270/Q26Q1VXJ
More data for this
Ligand-Target Pair