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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase (CpGUS)' and Ligand = 'BDBM163636'   
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
Beta-glucuronidase (CpGUS)


(Clostridium perfringens (Firmicutes))
BDBM163636
PNG
(3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(...)
Show SMILES CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
Show InChI InChI=1S/C23H27N3O3S/c1-4-29-20-7-5-19(6-8-20)24-23(30)26(9-10-27)14-18-13-17-12-15(2)11-16(3)21(17)25-22(18)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,30)(H,25,28)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
970n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 ÁL assay buffer, 5 ÁL inhibitor solution, 5 ÁL of 10 nM enz...


Chem Biol 22: 1238-49 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.005
BindingDB Entry DOI: 10.7270/Q2Q52NCD
More data for this
Ligand-Target Pair