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BDBM50084412 CHEMBL3426249

SMILES: O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21

InChI Key: InChIKey=UDNWTBGZZKWBQB-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50084412   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50084412
PNG
(CHEMBL3426249)
Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C25H16N2O4S/c28-23-25(21-11-5-3-9-19(21)20-10-4-6-12-22(20)25)27(24(29)26-23)32(30,31)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,26,28,29)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.73E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectropho...


Eur J Med Chem 98: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.011
BindingDB Entry DOI: 10.7270/Q25140X4
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50084412
PNG
(CHEMBL3426249)
Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3ccccc3c1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C25H16N2O4S/c28-23-25(21-11-5-3-9-19(21)20-10-4-6-12-22(20)25)27(24(29)26-23)32(30,31)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,26,28,29)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treated with compound for 10 mins prior to substrate addition by UV spectro...


Eur J Med Chem 98: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.011
BindingDB Entry DOI: 10.7270/Q25140X4
More data for this
Ligand-Target Pair