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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
Aldo-keto reductase family 1 member B1


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

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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 1.90n/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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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 1.90n/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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


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

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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 human placental aldose reductase using the substrate as glyceraldehyde.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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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Pfizer Inc.

Curated by ChEMBL


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

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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)
PDB

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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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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 |t:16|
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 5.50E+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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(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.

J Med Chem 34: 108-22 (1991)


BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%