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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50289619'   
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
Aldo-keto reductase family 1 member B1


(Sus scrofa)		BDBM50289619
PNG
(CHEMBL542104 | [3-Dimethylamino-5-(4,5,7-trifluoro...)
Show SMILES CN(C)c1cc(CC(O)=O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Show InChI InChI=1S/C18H15F3N2O2S/c1-23(2)11-4-9(3-10(5-11)7-15(24)25)6-14-22-17-16(21)12(19)8-13(20)18(17)26-14/h3-5,8H,6-7H2,1-2H3,(H,24,25)
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Article
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate

Bioorg Med Chem Lett 7: 1677-1682 (1997)


Article DOI: 10.1016/S0960-894X(97)00287-4
BindingDB Entry DOI: 10.7270/Q2M61K7T
More data for this
Ligand-Target Pair