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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50004115   
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)


(Homo sapiens (Human))
BDBM50028365
PNG
(7-Dimethylsulfamoyl-9-oxo-9H-xanthene-2-carboxylic...)
Show SMILES CN(C)S(=O)(=O)c1ccc2oc3ccc(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C16H13NO6S/c1-17(2)24(21,22)10-4-6-14-12(8-10)15(18)11-7-9(16(19)20)3-5-13(11)23-14/h3-8H,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards rabbit aldose reductase


J Med Chem 23: 1264-7 (1981)


Article DOI: 10.1021/jm00185a027
BindingDB Entry DOI: 10.7270/Q2W95874
More data for this
Ligand-Target Pair