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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family member 1B10 (AKR1B10)'   
Target
(Institution)
LigandTarget
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 member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442489
PNG
(CHEMBL2440417)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-
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n/an/a 4.70n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50321717
PNG
(7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-
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n/an/a 6n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50321717
PNG
(7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-
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n/an/a 6n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362835
PNG
(CHEMBL1940400)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+
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n/an/a 6.20n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442501
PNG
(CHEMBL2440422)
Show SMILES Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H15N3O4/c25-15-8-5-14(6-9-15)23-21-17(20(27)24-19-3-1-2-10-22-19)11-13-4-7-16(26)12-18(13)28-21/h1-12,25-26H,(H,22,24,27)/b23-21-
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n/an/a 6.80n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442504
PNG
(CHEMBL2440423)
Show SMILES OC(=O)c1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H15N3O5/c26-16-9-6-14-11-17(20(27)25-19-3-1-2-10-23-19)21(30-18(14)12-16)24-15-7-4-13(5-8-15)22(28)29/h1-12,26H,(H,28,29)(H,23,25,27)/b24-21-
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n/an/a 7.60n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442499
PNG
(CHEMBL2440424)
Show SMILES Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H17N3O3/c1-14-5-8-16(9-6-14)24-22-18(21(27)25-20-4-2-3-11-23-20)12-15-7-10-17(26)13-19(15)28-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-
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n/an/a 8.60n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442495
PNG
(CHEMBL2440416)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCO
Show InChI InChI=1S/C20H20N2O5/c1-26-16-7-4-14(5-8-16)22-20-17(19(25)21-9-2-10-23)11-13-3-6-15(24)12-18(13)27-20/h3-8,11-12,23-24H,2,9-10H2,1H3,(H,21,25)/b22-20-
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n/an/a 8.80n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362841
PNG
(CHEMBL1940399)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1O
Show InChI InChI=1S/C19H20O5/c1-23-18-13-16(20)10-8-15(18)9-11-19(22)24-12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11,13,20-21H,4,6,12H2,1H3/b11-9+
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n/an/a 9n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442506
PNG
(CHEMBL2440411)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C
Show InChI InChI=1S/C20H20N2O4/c1-12(2)21-19(24)17-10-13-4-7-15(23)11-18(13)26-20(17)22-14-5-8-16(25-3)9-6-14/h4-12,23H,1-3H3,(H,21,24)/b22-20-
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n/an/a 9.70n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442498
PNG
(CHEMBL2440414)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24N2O4/c1-28-19-11-8-17(9-12-19)25-23-20(22(27)24-16-5-3-2-4-6-16)13-15-7-10-18(26)14-21(15)29-23/h7-14,16,26H,2-6H2,1H3,(H,24,27)/b25-23-
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n/an/a 11n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442502
PNG
(CHEMBL2440415)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCO
Show InChI InChI=1S/C19H18N2O5/c1-25-15-6-3-13(4-7-15)21-19-16(18(24)20-8-9-22)10-12-2-5-14(23)11-17(12)26-19/h2-7,10-11,22-23H,8-9H2,1H3,(H,20,24)/b21-19-
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n/an/a 11n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442494
PNG
(CHEMBL2440428)
Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccccc3)oc2c1
Show InChI InChI=1S/C21H15N3O3/c25-16-10-9-14-12-17(20(26)24-19-8-4-5-11-22-19)21(27-18(14)13-16)23-15-6-2-1-3-7-15/h1-13,25H,(H,22,24,26)/b23-21-
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n/an/a 12n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 12n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of retinaldehyde reductase activity of human AKR1B10


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362846
PNG
(CHEMBL1940394)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1
Show InChI InChI=1S/C18H18O4/c1-21-17-13-16(19)9-7-15(17)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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n/an/a 13n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362844
PNG
(CHEMBL1940396)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1cccc(O)c1
Show InChI InChI=1S/C18H18O5/c1-22-17-12-16(20)7-5-14(17)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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n/an/a 13n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442503
PNG
(CHEMBL2440427)
Show SMILES OC(=O)Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C23H17N3O5/c27-17-9-6-15-12-18(22(30)26-20-3-1-2-10-24-20)23(31-19(15)13-17)25-16-7-4-14(5-8-16)11-21(28)29/h1-10,12-13,27H,11H2,(H,28,29)(H,24,26,30)/b25-23-
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n/an/a 13n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442505
PNG
(CHEMBL2440426)
Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(I)cc3)oc2c1
Show InChI InChI=1S/C21H14IN3O3/c22-14-5-7-15(8-6-14)24-21-17(20(27)25-19-3-1-2-10-23-19)11-13-4-9-16(26)12-18(13)28-21/h1-12,26H,(H,23,25,27)/b24-21-
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n/an/a 13n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362843
PNG
(CHEMBL1940397)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-22-17-12-16(20)8-4-14(17)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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n/an/a 14n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442500
PNG
(CHEMBL2440425)
Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(Br)cc3)oc2c1
Show InChI InChI=1S/C21H14BrN3O3/c22-14-5-7-15(8-6-14)24-21-17(20(27)25-19-3-1-2-10-23-19)11-13-4-9-16(26)12-18(13)28-21/h1-12,26H,(H,23,25,27)/b24-21-
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n/an/a 14n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50321718
PNG
(2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...)
Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362842
PNG
(CHEMBL1940398)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1
Show InChI InChI=1S/C19H20O4/c1-22-18-14-17(20)11-9-16(18)10-12-19(21)23-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3/b12-10+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442496
PNG
(CHEMBL2440413)
Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C
Show InChI InChI=1S/C21H22N2O4/c1-13(2)12-22-20(25)18-10-14-4-7-16(24)11-19(14)27-21(18)23-15-5-8-17(26-3)9-6-15/h4-11,13,24H,12H2,1-3H3,(H,22,25)/b23-21-
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362845
PNG
(CHEMBL1940395)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-15(19)8-6-14(17)7-9-18(21)23-11-10-13-4-2-3-5-16(13)20/h2-9,12,19-20H,10-11H2,1H3/b9-7+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442497
PNG
(CHEMBL2440412)
Show SMILES CCCCNC(=O)c1cc2ccc(O)cc2o\c1=N/c1ccc(OC)cc1
Show InChI InChI=1S/C21H22N2O4/c1-3-4-11-22-20(25)18-12-14-5-8-16(24)13-19(14)27-21(18)23-15-6-9-17(26-2)10-7-15/h5-10,12-13,24H,3-4,11H2,1-2H3,(H,22,25)/b23-21-
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362847
PNG
(CHEMBL1940393)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1
Show InChI InChI=1S/C18H18O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-13,19H,4,7,14H2/b13-10+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50321715
PNG
(2-(2,5-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...)
Show SMILES COc1ccc(OC)c(c1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-19(30-2)18(13-16)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-20(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362840
PNG
(CHEMBL1940401)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccc(O)cc1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)10-6-15(18)7-11-19(22)24-12-2-3-14-4-8-16(20)9-5-14/h4-11,13,20-21H,2-3,12H2,1H3/b11-7+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM200221
PNG
(2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50321716
PNG
(2-(3,4-dimethoxyphenylimino)-7-hydroxy-N-(6-methyl...)
Show SMILES COc1ccc(cc1OC)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C24H21N3O5/c1-14-5-4-6-22(25-14)27-23(29)18-11-15-7-9-17(28)13-20(15)32-24(18)26-16-8-10-19(30-2)21(12-16)31-3/h4-13,28H,1-3H3,(H,25,27,29)/b26-24-
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 54n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362851
PNG
(CHEMBL1940390)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
Show InChI InChI=1S/C17H16O3/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11,18H,12-13H2/b11-8+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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n/an/a 80n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM200221
PNG
(2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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n/an/a 80n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362839
PNG
(CHEMBL249447)
Show SMILES O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50029198
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid benzyl e...)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362838
PNG
(CHEMBL249448)
Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50363057
PNG
(CHEMBL1946962)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2cc(F)ccc12
Show InChI InChI=1S/C20H15BrF2N2O2S/c21-12-2-1-11(16(23)7-12)9-24-6-5-14-15-8-13(22)3-4-17(15)25(10-18(26)27)19(14)20(24)28/h1-4,7-8H,5-6,9-10H2,(H,26,27)
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University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50442492
PNG
(CHEMBL2440420)
Show SMILES COc1ccc(cc1)\N=c1/oc2cccc(O)c2cc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C22H17N3O4/c1-28-15-10-8-14(9-11-15)24-22-17(21(27)25-20-7-2-3-12-23-20)13-16-18(26)5-4-6-19(16)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-
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n/an/a 290n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362835
PNG
(CHEMBL1940400)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of AKR1B10-mediated farnesal metabolism in human HeLa cells preincubated for 2 hrs measured after 6 hrs following [1-14C]farnesol addition


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
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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n/an/a 330n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
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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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50363069
PNG
(CHEMBL1944860)
Show SMILES OC(=O)Cn1c2c(CCN(CCc3ccccc3)C2=S)c2c(F)cc(F)cc12
Show InChI InChI=1S/C21H18F2N2O2S/c22-14-10-16(23)19-15-7-9-24(8-6-13-4-2-1-3-5-13)21(28)20(15)25(12-18(26)27)17(19)11-14/h1-5,10-11H,6-9,12H2,(H,26,27)
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University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM200220
PNG
(2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
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n/an/a 430n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50363067
PNG
(CHEMBL1944858)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(F)cc(F)cc12
Show InChI InChI=1S/C20H16F2N2O2S/c21-13-8-15(22)18-14-6-7-23(10-12-4-2-1-3-5-12)20(27)19(14)24(11-17(25)26)16(18)9-13/h1-5,8-9H,6-7,10-11H2,(H,25,26)
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University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM16452
PNG
((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 620n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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