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PubMed code 1899452

Compile data set for download or QSAR
Found 90 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
Aldose reductase (AR)


(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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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the rate of reduction of glyceraldehyde by human placental aldose reductase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009806
PNG
(CHEMBL20207 | [3-(7-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-13-17(12)26-15(20-13)9-22-18(25)11-5-2-1-4-10(11)14(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009763
PNG
(CHEMBL20024 | [3-(4-Fluoro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12FN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(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 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009781
PNG
(CHEMBL20169 | [3-(5-Bromo-benzothiazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009828
PNG
(CHEMBL20015 | [3-(4-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009784
PNG
(CHEMBL278991 | [3-(5,7-Dichloro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009750
PNG
(CHEMBL282689 | [3-(4,7-Difluoro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-6-12(20)17-16(11)21-14(27-17)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009759
PNG
(CHEMBL20518 | [3-(5-Chloro-7-fluoro-benzothiazol-2...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11ClFN3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009774
PNG
(CHEMBL20161 | [3-(5,7-Dimethyl-benzothiazol-2-ylme...)
Show SMILES Cc1cc(C)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C20H17N3O3S/c1-11-7-12(2)19-16(8-11)21-17(27-19)10-23-20(26)14-6-4-3-5-13(14)15(22-23)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)
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n/an/a 5.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009749
PNG
(CHEMBL416001 | [3-(7-Chloro-5-fluoro-benzothiazol-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11ClFN3O3S/c19-12-5-9(20)6-14-17(12)27-15(21-14)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009757
PNG
(CHEMBL20637 | [3-(5,7-Difluoro-benzothiazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009804
PNG
(CHEMBL283996 | [3-(5-Fluoro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12FN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 6.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009829
PNG
(CHEMBL20197 | [3-(5-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
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 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glucose.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009769
PNG
((4-Oxo-3-thiazolo[5,4-b]pyridin-2-ylmethyl-3,4-dih...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12N4O3S/c22-15(23)8-13-10-4-1-2-5-11(10)17(24)21(20-13)9-14-19-12-6-3-7-18-16(12)25-14/h1-7H,8-9H2,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009810
PNG
(CHEMBL422927 | [3-(4,5-Difluoro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)c(F)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-6-13-17(16(11)20)21-14(27-13)8-23-18(26)10-4-2-1-3-9(10)12(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009814
PNG
(CHEMBL20220 | [4-Oxo-3-(7-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)12-6-3-7-13-17(12)29-15(23-13)9-25-18(28)11-5-2-1-4-10(11)14(24-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009783
PNG
((3-Benzothiazol-2-ylmethyl-6,7-dichloro-4-oxo-3,4-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-11-5-9-10(6-12(11)20)18(26)23(22-14(9)7-17(24)25)8-16-21-13-3-1-2-4-15(13)27-16/h1-6H,7-8H2,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009775
PNG
((3-Benzothiazol-2-ylmethyl-4-oxo-6-trifluoromethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-11-12(7-10)18(28)25(24-14(11)8-17(26)27)9-16-23-13-3-1-2-4-15(13)29-16/h1-7H,8-9H2,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009776
PNG
((3-Benzothiazol-2-ylmethyl-7-bromo-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-11-12(7-10)14(8-17(23)24)21-22(18(11)25)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009796
PNG
((3-Benzothiazol-2-ylmethyl-6-chloro-4-oxo-3,4-dihy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-10-5-6-11-12(7-10)18(25)22(21-14(11)8-17(23)24)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009755
PNG
(CHEMBL21038 | [3-(7-Bromo-benzothiazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(Br)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-12-6-3-7-13-17(12)26-15(20-13)9-22-18(25)11-5-2-1-4-10(11)14(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009780
PNG
(CHEMBL19701 | [3-(7-Fluoro-5-trifluoromethyl-benzo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(cc(F)c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H11F4N3O3S/c20-12-5-9(19(21,22)23)6-14-17(12)30-15(24-14)8-26-18(29)11-4-2-1-3-10(11)13(25-26)7-16(27)28/h1-6H,7-8H2,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009773
PNG
((3-Benzothiazol-2-ylmethyl-4-oxo-7-trifluoromethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-11-12(7-10)14(8-17(26)27)24-25(18(11)28)9-16-23-13-3-1-2-4-15(13)29-16/h1-7H,8-9H2,(H,26,27)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006463
PNG
((3-Benzothiazol-2-ylmethyl-4-oxo-3,4-dihydro-phtha...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O3S/c22-17(23)9-14-11-5-1-2-6-12(11)18(24)21(20-14)10-16-19-13-7-3-4-8-15(13)25-16/h1-8H,9-10H2,(H,22,23)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009801
PNG
(CHEMBL282263 | [3-(4,7-Dichloro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)ccc(Cl)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-11-5-6-12(20)17-16(11)21-14(27-17)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009793
PNG
(CHEMBL280168 | [4-Oxo-3-(4-trifluoromethyl-benzoth...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(cccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)12-6-3-7-14-17(12)23-15(29-14)9-25-18(28)11-5-2-1-4-10(11)13(24-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009813
PNG
(CHEMBL20009 | {3-[1-(5-Chloro-benzothiazol-2-yl)-e...)
Show SMILES CC(c1nc2cc(Cl)ccc2s1)n1nc(CC(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C19H14ClN3O3S/c1-10(18-21-15-8-11(20)6-7-16(15)27-18)23-19(26)13-5-3-2-4-12(13)14(22-23)9-17(24)25/h2-8,10H,9H2,1H3,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009761
PNG
((3-Benzothiazol-2-ylmethyl-6-methoxy-4-oxo-3,4-dih...)
Show SMILES COc1ccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C19H15N3O4S/c1-26-11-6-7-12-13(8-11)19(25)22(21-15(12)9-18(23)24)10-17-20-14-4-2-3-5-16(14)27-17/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009792
PNG
(CHEMBL19966 | [3-(5-Methyl-benzothiazol-2-ylmethyl...)
Show SMILES Cc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C19H15N3O3S/c1-11-6-7-16-15(8-11)20-17(26-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009817
PNG
(CHEMBL20004 | [3-(6-Bromo-benzothiazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-13-15(7-10)26-16(20-13)9-22-18(25)12-4-2-1-3-11(12)14(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009798
PNG
((3-Benzothiazol-2-ylmethyl-7-methyl-4-oxo-3,4-dihy...)
Show SMILES Cc1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
Show InChI InChI=1S/C19H15N3O3S/c1-11-6-7-12-13(8-11)15(9-18(23)24)21-22(19(12)25)10-17-20-14-4-2-3-5-16(14)26-17/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009823
PNG
((3-Benzothiazol-2-ylmethyl-7-methoxy-4-oxo-3,4-dih...)
Show SMILES COc1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
Show InChI InChI=1S/C19H15N3O4S/c1-26-11-6-7-12-13(8-11)15(9-18(23)24)21-22(19(12)25)10-17-20-14-4-2-3-5-16(14)27-17/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009752
PNG
((3-Benzothiazol-2-ylmethyl-5-fluoro-4-oxo-3,4-dihy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2c(F)cccc12
Show InChI InChI=1S/C18H12FN3O3S/c19-11-5-3-4-10-13(8-16(23)24)21-22(18(25)17(10)11)9-15-20-12-6-1-2-7-14(12)26-15/h1-7H,8-9H2,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009785
PNG
((3-Benzothiazol-2-ylmethyl-6-nitro-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C18H12N4O5S/c23-17(24)8-14-11-6-5-10(22(26)27)7-12(11)18(25)21(20-14)9-16-19-13-3-1-2-4-15(13)28-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009803
PNG
((3-Benzothiazol-2-ylmethyl-7-chloro-4-oxo-3,4-dihy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-10-5-6-11-12(7-10)14(8-17(23)24)21-22(18(11)25)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009788
PNG
(1'-benzo[d][1,3]thiazol-2-ylmethyl-5'-chlorospiro[...)
Show SMILES Clc1ccc2N(Cc3nc4ccccc4s3)CC3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C18H13ClN4O2S/c19-10-5-6-13-11(7-10)18(16(24)21-17(25)22-18)9-23(13)8-15-20-12-3-1-2-4-14(12)26-15/h1-7H,8-9H2,(H2,21,22,24,25)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009802
PNG
(CHEMBL283151 | {4-Oxo-3-[1-(5-trifluoromethyl-benz...)
Show SMILES CC(c1nc2cc(ccc2s1)C(F)(F)F)n1nc(CC(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C20H14F3N3O3S/c1-10(18-24-15-8-11(20(21,22)23)6-7-16(15)30-18)26-19(29)13-5-3-2-4-12(13)14(25-26)9-17(27)28/h2-8,10H,9H2,1H3,(H,27,28)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
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 41n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glyceraldehyde


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009756
PNG
(CHEMBL417643 | [3-(5-Hydroxy-benzothiazol-2-ylmeth...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(O)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O4S/c22-10-5-6-15-14(7-10)19-16(26-15)9-21-18(25)12-4-2-1-3-11(12)13(20-21)8-17(23)24/h1-7,22H,8-9H2,(H,23,24)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009794
PNG
((5-Methyl-3-naphtho[1,2-d]thiazol-2-ylmethyl-4-oxo...)
Show SMILES Cc1cccc2c(CC(O)=O)nn(Cc3nc4c(ccc5ccccc45)s3)c(=O)c12
Show InChI InChI=1S/C23H17N3O3S/c1-13-5-4-8-16-17(11-20(27)28)25-26(23(29)21(13)16)12-19-24-22-15-7-3-2-6-14(15)9-10-18(22)30-19/h2-10H,11-12H2,1H3,(H,27,28)
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n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009816
PNG
(CHEMBL282017 | [3-(1-Benzothiazol-2-yl-ethyl)-4-ox...)
Show SMILES CC(c1nc2ccccc2s1)n1nc(CC(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C19H15N3O3S/c1-11(18-20-14-8-4-5-9-16(14)26-18)22-19(25)13-7-3-2-6-12(13)15(21-22)10-17(23)24/h2-9,11H,10H2,1H3,(H,23,24)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009824
PNG
((3-Benzothiazol-2-ylmethyl-7-nitro-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H12N4O5S/c23-17(24)8-14-12-7-10(22(26)27)5-6-11(12)18(25)21(20-14)9-16-19-13-3-1-2-4-15(13)28-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009782
PNG
(CHEMBL418007 | [3-(5-Methylsulfanyl-benzothiazol-2...)
Show SMILES CSc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C19H15N3O3S2/c1-26-11-6-7-16-15(8-11)20-17(27-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009764
PNG
(CHEMBL20306 | [3-(5,6-Difluoro-benzothiazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)c(F)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-14-15(6-12(11)20)27-16(21-14)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-17(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009767
PNG
(2-(4-oxo-3-((6-(trifluoromethyl)benzo[d]thiazol-2-...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(cc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-13-15(7-10)29-16(23-13)9-25-18(28)12-4-2-1-3-11(12)14(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009754
PNG
(CHEMBL20581 | [3-(6-Chloro-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(Cl)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O3S/c19-10-5-6-13-15(7-10)26-16(20-13)9-22-18(25)12-4-2-1-3-11(12)14(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)
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n/an/a 76n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009753
PNG
(CHEMBL281407 | [3-(Benzothiazol-2-ylsulfanylmethyl...)
Show SMILES OC(=O)Cc1nn(CSc2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O3S2/c22-16(23)9-14-11-5-1-2-6-12(11)17(24)21(20-14)10-25-18-19-13-7-3-4-8-15(13)26-18/h1-8H,9-10H2,(H,22,23)
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n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(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 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(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 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009771
PNG
(CHEMBL21136 | [3-(5,7-Dihydroxy-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(O)cc(O)c3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O5S/c22-9-5-13-17(14(23)6-9)27-15(19-13)8-21-18(26)11-4-2-1-3-10(11)12(20-21)7-16(24)25/h1-6,22-23H,7-8H2,(H,24,25)
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n/an/a 87n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009751
PNG
(CHEMBL19893 | [3-(7-Chloro-5-trifluoromethyl-benzo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(cc(Cl)c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H11ClF3N3O3S/c20-12-5-9(19(21,22)23)6-14-17(12)30-15(24-14)8-26-18(29)11-4-2-1-3-10(11)13(25-26)7-16(27)28/h1-6H,7-8H2,(H,27,28)
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n/an/a 94n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009766
PNG
(CHEMBL283364 | [3-(4,5-Dichloro-benzothiazol-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)c(Cl)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-11-5-6-13-17(16(11)20)21-14(27-13)8-23-18(26)10-4-2-1-3-9(10)12(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009805
PNG
(CHEMBL20115 | [3-(5-Fluoro-7-trifluoromethyl-benzo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H11F4N3O3S/c20-9-5-12(19(21,22)23)17-14(6-9)24-15(30-17)8-26-18(29)11-4-2-1-3-10(11)13(25-26)7-16(27)28/h1-6H,7-8H2,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009791
PNG
(CHEMBL19373 | [3-(4-Methoxy-benzothiazol-2-ylmethy...)
Show SMILES COc1cccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc12
Show InChI InChI=1S/C19H15N3O4S/c1-26-14-7-4-8-15-18(14)20-16(27-15)10-22-19(25)12-6-3-2-5-11(12)13(21-22)9-17(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009758
PNG
(CHEMBL20441 | [3-(4-Hydroxy-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(O)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O4S/c22-13-6-3-7-14-17(13)19-15(26-14)9-21-18(25)11-5-2-1-4-10(11)12(20-21)8-16(23)24/h1-7,22H,8-9H2,(H,23,24)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009821
PNG
((3-Benzothiazol-2-ylmethyl-7-isopropyl-4-oxo-3,4-d...)
Show SMILES CC(C)c1ccc2c(c1)c(CC(O)=O)nn(Cc1nc3ccccc3s1)c2=O
Show InChI InChI=1S/C21H19N3O3S/c1-12(2)13-7-8-14-15(9-13)17(10-20(25)26)23-24(21(14)27)11-19-22-16-5-3-4-6-18(16)28-19/h3-9,12H,10-11H2,1-2H3,(H,25,26)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009818
PNG
((3-Benzothiazol-2-ylmethyl-6-isopropyl-4-oxo-3,4-d...)
Show SMILES CC(C)c1ccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C21H19N3O3S/c1-12(2)13-7-8-14-15(9-13)21(27)24(23-17(14)10-20(25)26)11-19-22-16-5-3-4-6-18(16)28-19/h3-9,12H,10-11H2,1-2H3,(H,25,26)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009748
PNG
(CHEMBL20253 | [3-(5-Chloro-6-fluoro-benzothiazol-2...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)c(F)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11ClFN3O3S/c19-11-5-14-15(6-12(11)20)27-16(21-14)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-17(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009800
PNG
(CHEMBL20884 | [3-(6-Hydroxy-5-trifluoromethyl-benz...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(c(O)cc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O4S/c20-19(21,22)11-5-13-15(7-14(11)26)30-16(23-13)8-25-18(29)10-4-2-1-3-9(10)12(24-25)6-17(27)28/h1-5,7,26H,6,8H2,(H,27,28)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009790
PNG
(5'-fluoro-1'-(4-fluorobenzyl)spiro[tetrahydro-1H-i...)
Show SMILES Fc1ccc(CN2CC3(NC(=O)NC3=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C17H13F2N3O2/c18-11-3-1-10(2-4-11)8-22-9-17(15(23)20-16(24)21-17)13-7-12(19)5-6-14(13)22/h1-7H,8-9H2,(H2,20,21,23,24)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009827
PNG
(CHEMBL20575 | [3-(4,6-Dichloro-benzothiazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)cc(Cl)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-9-5-12(20)17-14(6-9)27-15(21-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009787
PNG
(CHEMBL19873 | [3-(5-Methoxy-benzothiazol-2-ylmethy...)
Show SMILES COc1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C19H15N3O4S/c1-26-11-6-7-16-15(8-11)20-17(27-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009768
PNG
((7-Chloro-3-naphtho[1,2-d]thiazol-2-ylmethyl-4-oxo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H14ClN3O3S/c23-13-6-7-15-16(9-13)17(10-20(27)28)25-26(22(15)29)11-19-24-21-14-4-2-1-3-12(14)5-8-18(21)30-19/h1-9H,10-11H2,(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009770
PNG
(CHEMBL418008 | [3-(6-Methyl-benzothiazol-2-ylmethy...)
Show SMILES Cc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
Show InChI InChI=1S/C19H15N3O3S/c1-11-6-7-14-16(8-11)26-17(20-14)10-22-19(25)13-5-3-2-4-12(13)15(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 320n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009795
PNG
(CHEMBL20365 | [3-(7-Fluoro-6-methyl-benzothiazol-2...)
Show SMILES Cc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1F
Show InChI InChI=1S/C19H14FN3O3S/c1-10-6-7-13-18(17(10)20)27-15(21-13)9-23-19(26)12-5-3-2-4-11(12)14(22-23)8-16(24)25/h2-7H,8-9H2,1H3,(H,24,25)
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n/an/a 320n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009768
PNG
((7-Chloro-3-naphtho[1,2-d]thiazol-2-ylmethyl-4-oxo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H14ClN3O3S/c23-13-6-7-15-16(9-13)17(10-20(27)28)25-26(22(15)29)11-19-24-21-14-4-2-1-3-12(14)5-8-18(21)30-19/h1-9H,10-11H2,(H,27,28)
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009779
PNG
(CHEMBL20925 | [3-(5,6-Dichloro-benzothiazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)c(Cl)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O3S/c19-11-5-14-15(6-12(11)20)27-16(21-14)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-17(24)25/h1-6H,7-8H2,(H,24,25)
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n/an/a 420n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009797
PNG
((3-Benzothiazol-2-ylmethyl-5-methyl-4-oxo-3,4-dihy...)
Show SMILES Cc1cccc2c(CC(O)=O)nn(Cc3nc4ccccc4s3)c(=O)c12
Show InChI InChI=1S/C19H15N3O3S/c1-11-5-4-6-12-14(9-17(23)24)21-22(19(25)18(11)12)10-16-20-13-7-2-3-8-15(13)26-16/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 420n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009819
PNG
(CHEMBL21101 | {4-Oxo-3-[2-(5-trifluoromethyl-benzo...)
Show SMILES OC(=O)Cc1nn(CCc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H14F3N3O3S/c21-20(22,23)11-5-6-16-15(9-11)24-17(30-16)7-8-26-19(29)13-4-2-1-3-12(13)14(25-26)10-18(27)28/h1-6,9H,7-8,10H2,(H,27,28)
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n/an/a 460n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009811
PNG
((3-Naphtho[1,2-d]thiazol-2-ylmethyl-4-oxo-3,4-dihy...)
Show SMILES OC(=O)Cc1nn(Cc2nc3c(ccc4ccccc34)s2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H15N3O3S/c26-20(27)11-17-15-7-3-4-8-16(15)22(28)25(24-17)12-19-23-21-14-6-2-1-5-13(14)9-10-18(21)29-19/h1-10H,11-12H2,(H,26,27)
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n/an/a 510n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009762
PNG
(CHEMBL278583 | [3-(5-Chloro-7-trifluoromethyl-benz...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(c3s2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H11ClF3N3O3S/c20-9-5-12(19(21,22)23)17-14(6-9)24-15(30-17)8-26-18(29)11-4-2-1-3-10(11)13(25-26)7-16(27)28/h1-6H,7-8H2,(H,27,28)
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n/an/a 620n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009820
PNG
(CHEMBL431108 | [3-(5-Methoxy-7-trifluoromethyl-ben...)
Show SMILES COc1cc(c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O4S/c1-30-10-6-13(20(21,22)23)18-15(7-10)24-16(31-18)9-26-19(29)12-5-3-2-4-11(12)14(25-26)8-17(27)28/h2-7H,8-9H2,1H3,(H,27,28)
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n/an/a 660n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009786
PNG
((3-Benzothiazol-2-ylmethyl-6-bromo-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-11-12(7-10)18(25)22(21-14(11)8-17(23)24)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)
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n/an/a 690n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009772
PNG
(CHEMBL19162 | [3-(5,7-Dimethoxy-benzothiazol-2-ylm...)
Show SMILES COc1cc(OC)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C20H17N3O5S/c1-27-11-7-15-19(16(8-11)28-2)29-17(21-15)10-23-20(26)13-6-4-3-5-12(13)14(22-23)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)
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n/an/a 700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009826
PNG
(CHEMBL278832 | [3-(6-Hydroxy-benzothiazol-2-ylmeth...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(O)cc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O4S/c22-10-5-6-13-15(7-10)26-16(19-13)9-21-18(25)12-4-2-1-3-11(12)14(20-21)8-17(23)24/h1-7,22H,8-9H2,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009825
PNG
(CHEMBL277708 | [3-(5,7-Bis-trifluoromethyl-benzoth...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(cc(c3s2)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H11F6N3O3S/c21-19(22,23)9-5-12(20(24,25)26)17-14(6-9)27-15(33-17)8-29-18(32)11-4-2-1-3-10(11)13(28-29)7-16(30)31/h1-6H,7-8H2,(H,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009812
PNG
(CHEMBL20199 | [3-(5-Methanesulfonyl-benzothiazol-2...)
Show SMILES CS(=O)(=O)c1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C19H15N3O5S2/c1-29(26,27)11-6-7-16-15(8-11)20-17(28-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009807
PNG
(CHEMBL279673 | [3-(6-Bromo-benzothiazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H10BrCl2N3O3S/c19-8-1-2-13-15(3-8)28-16(22-13)7-24-18(27)10-5-12(21)11(20)4-9(10)14(23-24)6-17(25)26/h1-5H,6-7H2,(H,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009799
PNG
(CHEMBL20380 | [3-(6-Fluoro-5-methoxy-benzothiazol-...)
Show SMILES COc1cc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2cc1F
Show InChI InChI=1S/C19H14FN3O4S/c1-27-15-7-14-16(6-12(15)20)28-17(21-14)9-23-19(26)11-5-3-2-4-10(11)13(22-23)8-18(24)25/h2-7H,8-9H2,1H3,(H,24,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009815
PNG
(CHEMBL20885 | [3-(6-Isopropyl-benzothiazol-2-ylmet...)
Show SMILES CC(C)c1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
Show InChI InChI=1S/C21H19N3O3S/c1-12(2)13-7-8-16-18(9-13)28-19(22-16)11-24-21(27)15-6-4-3-5-14(15)17(23-24)10-20(25)26/h3-9,12H,10-11H2,1-2H3,(H,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009809
PNG
(CHEMBL283984 | [3-(6-Methoxy-benzothiazol-2-ylmeth...)
Show SMILES COc1ccc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2c1
Show InChI InChI=1S/C19H15N3O4S/c1-26-11-6-7-14-16(8-11)27-17(20-14)10-22-19(25)13-5-3-2-4-12(13)15(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009765
PNG
(CHEMBL280361 | [3-(6-Methoxy-5-trifluoromethyl-ben...)
Show SMILES COc1cc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2cc1C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O4S/c1-30-15-8-16-14(6-12(15)20(21,22)23)24-17(31-16)9-26-19(29)11-5-3-2-4-10(11)13(25-26)7-18(27)28/h2-6,8H,7,9H2,1H3,(H,27,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009789
PNG
(CHEMBL430911 | [3-(5-Methanesulfinyl-benzothiazol-...)
Show SMILES CS(=O)c1ccc2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1
Show InChI InChI=1S/C19H15N3O4S2/c1-28(26)11-6-7-16-15(8-11)20-17(27-16)10-22-19(25)13-5-3-2-4-12(13)14(21-22)9-18(23)24/h2-8H,9-10H2,1H3,(H,23,24)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009808
PNG
(CHEMBL277935 | [3-(3-Benzothiazol-2-yl-benzyl)-4-o...)
Show SMILES OC(=O)Cc1nn(Cc2cccc(c2)-c2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17N3O3S/c28-22(29)13-20-17-8-1-2-9-18(17)24(30)27(26-20)14-15-6-5-7-16(12-15)23-25-19-10-3-4-11-21(19)31-23/h1-12H,13-14H2,(H,28,29)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009778
PNG
(CHEMBL414405 | [3-(4-Benzothiazol-2-yl-benzyl)-4-o...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(cc2)-c2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17N3O3S/c28-22(29)13-20-17-5-1-2-6-18(17)24(30)27(26-20)14-15-9-11-16(12-10-15)23-25-19-7-3-4-8-21(19)31-23/h1-12H,13-14H2,(H,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009822
PNG
((3-Benzothiazol-2-yl-4-oxo-3,4-dihydro-phthalazin-...)
Show SMILES OC(=O)Cc1nn(-c2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C17H11N3O3S/c21-15(22)9-13-10-5-1-2-6-11(10)16(23)20(19-13)17-18-12-7-3-4-8-14(12)24-17/h1-8H,9H2,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50009760
PNG
(2-Methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e]...)
Show SMILES CN1C(C(=O)Nc2nc3ccccc3s2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C17H13N3O4S2/c1-20-14(15(21)10-6-2-5-9-13(10)26(20,23)24)16(22)19-17-18-11-7-3-4-8-12(11)25-17/h2-9,21H,1H3,(H,18,19,22)
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n/an/a 5.05E+11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%