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PubMed code 26227780

Compile data set for download or QSAR
Found 8 hits of 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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498624
PNG
(CHEMBL3609180)
Show SMILES OC(=O)Cn1c2ccc(F)cc2nc(Oc2ccc(O)cc2)c1=O
Show InChI InChI=1S/C16H11FN2O5/c17-9-1-6-13-12(7-9)18-15(16(23)19(13)8-14(21)22)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22)
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Article
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n/an/a 20n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498623
PNG
(CHEMBL3609181)
Show SMILES OC(=O)Cn1c2ccc(F)cc2nc(Oc2cc(O)cc(O)c2)c1=O
Show InChI InChI=1S/C16H11FN2O6/c17-8-1-2-13-12(3-8)18-15(16(24)19(13)7-14(22)23)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23)
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n/an/a 130n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498625
PNG
(CHEMBL3609182)
Show SMILES OC(=O)Cn1c2cc(Cl)ccc2nc(Oc2ccc(O)cc2)c1=O
Show InChI InChI=1S/C16H11ClN2O5/c17-9-1-6-12-13(7-9)19(8-14(21)22)16(23)15(18-12)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22)
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n/an/a 179n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498621
PNG
(CHEMBL3609178)
Show SMILES OC(=O)Cn1c2ccccc2nc(Oc2ccc(O)cc2)c1=O
Show InChI InChI=1S/C16H12N2O5/c19-10-5-7-11(8-6-10)23-15-16(22)18(9-14(20)21)13-4-2-1-3-12(13)17-15/h1-8,19H,9H2,(H,20,21)
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n/an/a 374n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498626
PNG
(CHEMBL3609183)
Show SMILES OC(=O)Cn1c2cc(Cl)ccc2nc(Oc2cc(O)cc(O)c2)c1=O
Show InChI InChI=1S/C16H11ClN2O6/c17-8-1-2-12-13(3-8)19(7-14(22)23)16(24)15(18-12)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23)
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n/an/a 566n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498620
PNG
(CHEMBL3609179)
Show SMILES OC(=O)Cn1c2ccccc2nc(Oc2cc(O)cc(O)c2)c1=O
Show InChI InChI=1S/C16H12N2O6/c19-9-5-10(20)7-11(6-9)24-15-16(23)18(8-14(21)22)13-4-2-1-3-12(13)17-15/h1-7,19-20H,8H2,(H,21,22)
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n/an/a 940n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50498622
PNG
(CHEMBL3609727)
Show SMILES OC(=O)Cn1c2ccc(Cl)cc2nc(Oc2cc(O)cc(O)c2)c1=O
Show InChI InChI=1S/C16H11ClN2O6/c17-8-1-2-13-12(3-8)18-15(16(24)19(13)7-14(22)23)25-11-5-9(20)4-10(21)6-11/h1-6,20-21H,7H2,(H,22,23)
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n/an/a 982n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.048
BindingDB Entry DOI: 10.7270/Q2BZ691T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%