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PubMed code 26005026

Compile data set for download or QSAR
Found 25 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 [K65Q]


(Bos taurus (Cattle))		BDBM50084414
PNG
(CHEMBL3426171)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C21H13ClN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-19(25)21(23-20(24)26)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,26)
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n/an/a 890n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084406
PNG
(CHEMBL3426174)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C22H16N2O5S/c1-29-14-10-12-15(13-11-14)30(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
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n/an/a 1.02E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084408
PNG
(CHEMBL3426178)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13ClN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-20(26)23-19(25)21(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,25,26)
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n/an/a 1.72E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084405
PNG
(CHEMBL3426173)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)22-20(26)23(19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,26)
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n/an/a 1.80E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084407
PNG
(CHEMBL3426177)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-21(26)23-20(25)22(24)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,25,26)
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n/an/a 2.29E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084404
PNG
(CHEMBL3426170)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
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n/an/a 2.84E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 3.14E+3n/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		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084405
PNG
(CHEMBL3426173)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)22-20(26)23(19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,26)
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n/an/a 3.51E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084409
PNG
(CHEMBL3426179)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13BrN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-20(26)23-19(25)21(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,25,26)
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n/an/a 3.86E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084404
PNG
(CHEMBL3426170)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
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n/an/a 5.15E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084415
PNG
(CHEMBL3426172)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C21H13BrN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-19(25)21(23-20(24)26)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,26)
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n/an/a 5.37E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084411
PNG
(CHEMBL3426248)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H16N2O5S/c1-29-14-10-12-15(13-11-14)30(27,28)24-21(26)23-20(25)22(24)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,25,26)
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n/an/a 5.80E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084410
PNG
(CHEMBL3426180)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)23(20(26)22-19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,25,26)
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n/an/a 7.88E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084407
PNG
(CHEMBL3426177)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c1-14-10-12-15(13-11-14)29(27,28)24-21(26)23-20(25)22(24)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,25,26)
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n/an/a 8.80E+3n/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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084413
PNG
(CHEMBL3426250)
Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-28(35)30-27(34)29(31)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,34,35)
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n/an/a 1.03E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084416
PNG
(CHEMBL3426176)
Show SMILES O=C1NC2(C(=O)N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-27(34)29(30-28(31)35)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,35)
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n/an/a 1.13E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084409
PNG
(CHEMBL3426179)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13BrN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-20(26)23-19(25)21(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,25,26)
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n/an/a 1.15E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084408
PNG
(CHEMBL3426178)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13ClN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-20(26)23-19(25)21(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,25,26)
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n/an/a 1.21E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084410
PNG
(CHEMBL3426180)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H13N3O6S/c25-19-21(17-7-3-1-5-15(17)16-6-2-4-8-18(16)21)23(20(26)22-19)31(29,30)14-11-9-13(10-12-14)24(27)28/h1-12H,(H,22,25,26)
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n/an/a 1.23E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(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)
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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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084411
PNG
(CHEMBL3426248)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H16N2O5S/c1-29-14-10-12-15(13-11-14)30(27,28)24-21(26)23-20(25)22(24)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,25,26)
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n/an/a 1.39E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084413
PNG
(CHEMBL3426250)
Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-28(35)30-27(34)29(31)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,34,35)
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n/an/a 2.03E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50084406
PNG
(CHEMBL3426174)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)NC2(C1=O)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C22H16N2O5S/c1-29-14-10-12-15(13-11-14)30(27,28)24-20(25)22(23-21(24)26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-13H,1H3,(H,23,26)
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n/an/a 2.61E+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
Aldo-keto reductase family 1 member B1 [K65Q]


(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)
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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
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.74E+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
* indicates data uncertainty>20%