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PDB code 3G5E

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Aldose reductase (AR)

  (315/316 > 99%)
(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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PC cid
PC sid
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PDB
Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output