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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50343933   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50343933
PNG
(2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)...)
Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12
Show InChI InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)
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Article
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Institute for Diabetes Discovery, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophotometry analysis


Bioorg Med Chem Lett 19: 2006-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.037
BindingDB Entry DOI: 10.7270/Q2W66M3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)