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PubMed code 1738141

Compile data set for download or QSAR
Found 64 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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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008471
PNG
(CHEMBL143234 | [3-(5,7-Difluoro-benzooxazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11F2N3O4/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 3.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008441
PNG
(CHEMBL422647 | [4-Oxo-3-(3-o-tolyl-[1,2,4]oxadiazo...)
Show SMILES Cc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1
Show InChI InChI=1S/C20H16N4O4/c1-12-6-2-3-7-13(12)19-21-17(28-23-19)11-24-20(27)15-9-5-4-8-14(15)16(22-24)10-18(25)26/h2-9H,10-11H2,1H3,(H,25,26)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008480
PNG
(CHEMBL341864 | {3-[3-(2-Bromo-phenyl)-[1,2,4]oxadi...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Br)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50230363
PNG
(CHEMBL422476)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a<10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008456
PNG
(CHEMBL143633 | {3-[(3-Chloro-phenylcarbamoyl)-meth...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c19-11-4-3-5-12(8-11)20-16(23)10-22-18(26)14-7-2-1-6-13(14)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008484
PNG
(CHEMBL344057 | {4-Oxo-3-[(3-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14F3N3O4/c20-19(21,22)11-4-3-5-12(8-11)23-16(26)10-25-18(29)14-7-2-1-6-13(14)15(24-25)9-17(27)28/h1-8H,9-10H2,(H,23,26)(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008479
PNG
(CHEMBL143098 | {3-[3-(2,3-Difluoro-phenyl)-[1,2,4]...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2cccc(F)c2F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F2N4O4/c20-13-7-3-6-12(17(13)21)18-22-15(29-24-18)9-25-19(28)11-5-2-1-4-10(11)14(23-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008449
PNG
(2-(3-(2-(3-fluorophenylamino)-2-oxoethyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H14FN3O4/c19-11-4-3-5-12(8-11)20-16(23)10-22-18(26)14-7-2-1-6-13(14)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008482
PNG
(CHEMBL345068 | {3-[3-(2-Chloro-phenyl)-[1,2,4]oxad...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008468
PNG
(CHEMBL358792 | [3-(5-Bromo-benzooxazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O4/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 27n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50406710
PNG
(CHEMBL2111988)
Show SMILES OC(=O)Cc1nn(Cc2noc(n2)-c2ccccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN4O4/c20-14-8-4-3-7-13(14)18-21-16(23-28-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008475
PNG
(CHEMBL142599 | {3-[(2-Bromo-5-trifluoromethyl-phen...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrF3N3O4/c20-13-6-5-10(19(21,22)23)7-15(13)24-16(27)9-26-18(30)12-4-2-1-3-11(12)14(25-26)8-17(28)29/h1-7H,8-9H2,(H,24,27)(H,28,29)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008478
PNG
(CHEMBL142989 | [4-Oxo-3-(5-trifluoromethyl-benzoox...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3o2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F3N3O4/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 31n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008442
PNG
(CHEMBL142790 | [3-(5,7-Dichloro-benzooxazol-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H11Cl2N3O4/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 32n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008486
PNG
(CHEMBL140199 | [4-Oxo-3-(4-phenyl-thiazol-2-ylmeth...)
Show SMILES OC(=O)Cc1nn(Cc2nc(cs2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3S/c24-19(25)10-16-14-8-4-5-9-15(14)20(26)23(22-16)11-18-21-17(12-27-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,25)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008492
PNG
(CHEMBL344526 | [3-(7-Chloro-imidazo[1,2-a]pyridin-...)
Show SMILES OC(=O)Cc1nn(Cc2cn3ccc(Cl)cc3n2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13ClN4O3/c19-11-5-6-22-9-12(20-16(22)7-11)10-23-18(26)14-4-2-1-3-13(14)15(21-23)8-17(24)25/h1-7,9H,8,10H2,(H,24,25)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008457
PNG
(CHEMBL140012 | {3-[(3-Chloro-phenylthiocarbamoyl)-...)
Show SMILES OC(=O)Cc1nn(CC(=S)Nc2cccc(Cl)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O3S/c19-11-4-3-5-12(8-11)20-16(26)10-22-18(25)14-7-2-1-6-13(14)15(21-22)9-17(23)24/h1-8H,9-10H2,(H,20,26)(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008444
PNG
(CHEMBL140750 | {4-Oxo-3-[(3-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cc1nn(CC(=S)Nc2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)11-4-3-5-12(8-11)23-16(29)10-25-18(28)14-7-2-1-6-13(14)15(24-25)9-17(26)27/h1-8H,9-10H2,(H,23,29)(H,26,27)
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n/an/a 52n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008448
PNG
(CHEMBL143211 | [3-(5-Chloro-benzooxazol-2-ylmethyl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)ccc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12ClN3O4/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 78n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008438
PNG
((3-Benzooxazol-2-ylmethyl-4-oxo-3,4-dihydro-phthal...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O4/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 89n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008453
PNG
(CHEMBL142879 | [3-(4-Chloro-benzo[b]thiophen-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2cc3c(Cl)cccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN2O3S/c20-15-6-3-7-17-14(15)8-11(26-17)10-22-19(25)13-5-2-1-4-12(13)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008489
PNG
((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)
Show SMILES OC(=O)Cc1nn(Cc2cc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14N2O3S/c22-18(23)10-16-14-6-2-3-7-15(14)19(24)21(20-16)11-13-9-12-5-1-4-8-17(12)25-13/h1-9H,10-11H2,(H,22,23)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008493
PNG
(CHEMBL143551 | [3-(5-Chloro-benzofuran-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN2O4/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008435
PNG
((3-Benzo[b]thiophen-2-ylmethyl-4-oxo-3,4-dihydro-p...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13FN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008470
PNG
(CHEMBL357206 | [4-Oxo-3-(3-pyridin-2-yl-[1,2,4]oxa...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccn2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N5O4/c24-16(25)9-14-11-5-1-2-6-12(11)18(26)23(21-14)10-15-20-17(22-27-15)13-7-3-4-8-19-13/h1-8H,9-10H2,(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008464
PNG
(CHEMBL143231 | [4-Oxo-3-(3-phenyl-[1,2,4]oxadiazol...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O4/c24-17(25)10-15-13-8-4-5-9-14(13)19(26)23(21-15)11-16-20-18(22-27-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008440
PNG
(CHEMBL143863 | {3-[(3,5-Difluoro-2-hydroxy-phenylc...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(F)cc(F)c2O)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13F2N3O5/c19-9-5-12(20)17(27)14(6-9)21-15(24)8-23-18(28)11-4-2-1-3-10(11)13(22-23)7-16(25)26/h1-6,27H,7-8H2,(H,21,24)(H,25,26)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008469
PNG
(CHEMBL342974 | {3-[(2-Hydroxy-5-trifluoromethyl-ph...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(ccc2O)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14F3N3O5/c20-19(21,22)10-5-6-15(26)14(7-10)23-16(27)9-25-18(30)12-4-2-1-3-11(12)13(24-25)8-17(28)29/h1-7,26H,8-9H2,(H,23,27)(H,28,29)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008436
PNG
(CHEMBL141013 | {3-[(2-Bromo-5-trifluoromethyl-phen...)
Show SMILES OC(=O)Cc1nn(CC(=S)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrF3N3O3S/c20-13-6-5-10(19(21,22)23)7-15(13)24-16(30)9-26-18(29)12-4-2-1-3-11(12)14(25-26)8-17(27)28/h1-7H,8-9H2,(H,24,30)(H,27,28)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008461
PNG
(CHEMBL141390 | {4-Oxo-3-[3-(2-trifluoromethyl-phen...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)14-8-4-3-7-13(14)18-24-16(31-26-18)10-27-19(30)12-6-2-1-5-11(12)15(25-27)9-17(28)29/h1-8H,9-10H2,(H,28,29)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008483
PNG
(CHEMBL143241 | {3-[3-(2-Chloro-6-fluoro-phenyl)-[1...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2c(F)cccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12ClFN4O4/c20-12-6-3-7-13(21)17(12)18-22-15(29-24-18)9-25-19(28)11-5-2-1-4-10(11)14(23-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008476
PNG
(CHEMBL141135 | [3-(5-Chloro-benzo[b]thiophen-2-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(Cl)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008455
PNG
((4-Oxo-3-thieno[2,3-b]pyridin-2-ylmethyl-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O3S/c22-16(23)9-15-13-5-1-2-6-14(13)18(24)21(20-15)10-12-8-11-4-3-7-19-17(11)25-12/h1-8H,9-10H2,(H,22,23)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008490
PNG
(CHEMBL357074 | {3-[(2-Chloro-phenylcarbamoyl)-meth...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c19-13-7-3-4-8-14(13)20-16(23)10-22-18(26)12-6-2-1-5-11(12)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008481
PNG
(CHEMBL342524 | {3-[(4-Chloro-phenylcarbamoyl)-meth...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c19-11-5-7-12(8-6-11)20-16(23)10-22-18(26)14-4-2-1-3-13(14)15(21-22)9-17(24)25/h1-8H,9-10H2,(H,20,23)(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008460
PNG
(CHEMBL143387 | {3-[2-(2-Fluoro-phenyl)-thiazol-4-y...)
Show SMILES OC(=O)Cc1nn(Cc2csc(n2)-c2ccccc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H14FN3O3S/c21-16-8-4-3-7-15(16)19-22-12(11-28-19)10-24-20(27)14-6-2-1-5-13(14)17(23-24)9-18(25)26/h1-8,11H,9-10H2,(H,25,26)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008465
PNG
(CHEMBL356545 | {3-[3-(2-Methoxy-phenyl)-[1,2,4]oxa...)
Show SMILES COc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1
Show InChI InChI=1S/C20H16N4O5/c1-28-16-9-5-4-8-14(16)19-21-17(29-23-19)11-24-20(27)13-7-3-2-6-12(13)15(22-24)10-18(25)26/h2-9H,10-11H2,1H3,(H,25,26)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50406709
PNG
(CHEMBL2111987)
Show SMILES OC(=O)Cc1nn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)14-8-4-3-7-13(14)18-24-16(26-31-18)10-27-19(30)12-6-2-1-5-11(12)15(25-27)9-17(28)29/h1-8H,9-10H2,(H,28,29)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008446
PNG
(CHEMBL143903 | [3-(6-Bromo-benzooxazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccc(Br)cc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H12BrN3O4/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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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008491
PNG
(CHEMBL356286 | {3-[3-(2,4-Difluoro-phenyl)-[1,2,4]...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccc(F)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H12F2N4O4/c20-10-5-6-13(14(21)7-10)18-22-16(29-24-18)9-25-19(28)12-4-2-1-3-11(12)15(23-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008473
PNG
(CHEMBL140042 | [4-Oxo-3-(5-phenyl-oxazol-2-ylmethy...)
Show SMILES OC(=O)Cc1nn(Cc2ncc(o2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O4/c24-19(25)10-16-14-8-4-5-9-15(14)20(26)23(22-16)12-18-21-11-17(27-18)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008477
PNG
(CHEMBL357435 | [4-Oxo-3-(3-phenyl-isothiazol-5-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2cc(ns2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3S/c24-19(25)11-18-15-8-4-5-9-16(15)20(26)23(21-18)12-14-10-17(22-27-14)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,24,25)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008450
PNG
((3-Benzo[c]isothiazol-3-ylmethyl-4-oxo-3,4-dihydro...)
Show SMILES OC(=O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C18H13N3O3S/c22-17(23)9-15-11-5-1-2-6-12(11)18(24)21(19-15)10-16-13-7-3-4-8-14(13)20-25-16/h1-8H,9-10H2,(H,22,23)
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Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008452
PNG
(CHEMBL342786 | [3-(1H-Indol-2-ylmethyl)-4-oxo-3,4-...)
Show SMILES OC(=O)Cc1nn(Cc2cc3ccccc3[nH]2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H15N3O3/c23-18(24)10-17-14-6-2-3-7-15(14)19(25)22(21-17)11-13-9-12-5-1-4-8-16(12)20-13/h1-9,20H,10-11H2,(H,23,24)
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n/an/a 870n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008443
PNG
(CHEMBL422824 | [3-(5-Bromo-benzo[b]thiophen-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(Br)ccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrN2O3S/c20-12-5-6-17-11(7-12)8-13(26-17)10-22-19(25)15-4-2-1-3-14(15)16(21-22)9-18(23)24/h1-8H,9-10H2,(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
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008437
PNG
(CHEMBL356789 | {3-[(3,5-Bis-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H13F6N3O4/c21-19(22,23)10-5-11(20(24,25)26)7-12(6-10)27-16(30)9-29-18(33)14-4-2-1-3-13(14)15(28-29)8-17(31)32/h1-7H,8-9H2,(H,27,30)(H,31,32)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008472
PNG
(CHEMBL342887 | {3-[3-(2-Chloro-phenyl)-[1,2,4]thia...)
Show SMILES OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2Cl)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13ClN4O3S/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008463
PNG
(CHEMBL424485 | {4-Oxo-3-[(4-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14F3N3O4/c20-19(21,22)11-5-7-12(8-6-11)23-16(26)10-25-18(29)14-4-2-1-3-13(14)15(24-25)9-17(27)28/h1-8H,9-10H2,(H,23,26)(H,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008474
PNG
(CHEMBL142542 | [4-Oxo-3-(3-phenyl-[1,2,4]thiadiazo...)
Show SMILES OC(=O)Cc1nn(Cc2nc(ns2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O3S/c24-17(25)10-15-13-8-4-5-9-14(13)19(26)23(21-15)11-16-20-18(22-27-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008487
PNG
(CHEMBL143708 | {3-[(2-Bromo-3,5-bis-trifluoromethy...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2cc(cc(c2Br)C(F)(F)F)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C20H12BrF6N3O4/c21-17-12(20(25,26)27)5-9(19(22,23)24)6-14(17)28-15(31)8-30-18(34)11-4-2-1-3-10(11)13(29-30)7-16(32)33/h1-6H,7-8H2,(H,28,31)(H,32,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008459
PNG
(CHEMBL142647 | [3-(5-Nitro-benzo[b]thiophen-2-ylme...)
Show SMILES OC(=O)Cc1nn(Cc2cc3cc(ccc3s2)[N+]([O-])=O)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13N3O5S/c23-18(24)9-16-14-3-1-2-4-15(14)19(25)21(20-16)10-13-8-11-7-12(22(26)27)5-6-17(11)28-13/h1-8H,9-10H2,(H,23,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008439
PNG
((3-Naphtho[2,3-d]oxazol-2-ylmethyl-4-oxo-3,4-dihyd...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc4ccccc4cc3o2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H15N3O4/c26-21(27)11-17-15-7-3-4-8-16(15)22(28)25(24-17)12-20-23-18-9-13-5-1-2-6-14(13)10-19(18)29-20/h1-10H,11-12H2,(H,26,27)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008447
PNG
(CHEMBL358550 | [4-Oxo-3-(5-phenyl-[1,3,4]oxadiazol...)
Show SMILES OC(=O)Cc1nn(Cc2nnc(o2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O4/c24-17(25)10-15-13-8-4-5-9-14(13)19(26)23(22-15)11-16-20-21-18(27-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,24,25)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008494
PNG
(CHEMBL140980 | [4-Oxo-3-(4-phenyl-oxazol-2-ylmethy...)
Show SMILES OC(=O)Cc1nn(Cc2nc(co2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O4/c24-19(25)10-16-14-8-4-5-9-15(14)20(26)23(22-16)11-18-21-17(12-27-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008445
PNG
(CHEMBL142934 | [3-(1-Methyl-1H-benzoimidazol-2-ylm...)
Show SMILES Cn1c(Cn2nc(CC(O)=O)c3ccccc3c2=O)nc2ccccc12
Show InChI InChI=1S/C19H16N4O3/c1-22-16-9-5-4-8-14(16)20-17(22)11-23-19(26)13-7-3-2-6-12(13)15(21-23)10-18(24)25/h2-9H,10-11H2,1H3,(H,24,25)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008466
PNG
(CHEMBL344245 | [3-(4,5-Diphenyl-oxazol-2-ylmethyl)...)
Show SMILES OC(=O)Cc1nn(Cc2nc(c(o2)-c2ccccc2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C26H19N3O4/c30-23(31)15-21-19-13-7-8-14-20(19)26(32)29(28-21)16-22-27-24(17-9-3-1-4-10-17)25(33-22)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,30,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008451
PNG
(CHEMBL335376 | {3-[3-(4-Bromo-phenyl)-[1,2,4]oxadi...)
Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccc(Br)cc2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H13BrN4O4/c20-12-7-5-11(6-8-12)18-21-16(28-23-18)10-24-19(27)14-4-2-1-3-13(14)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008462
PNG
((4-Oxo-3-phenylcarbamoylmethyl-3,4-dihydro-phthala...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N3O4/c22-16(19-12-6-2-1-3-7-12)11-21-18(25)14-9-5-4-8-13(14)15(20-21)10-17(23)24/h1-9H,10-11H2,(H,19,22)(H,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008454
PNG
(CHEMBL142704 | {4-Oxo-3-[(2-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C19H14F3N3O4/c20-19(21,22)13-7-3-4-8-14(13)23-16(26)10-25-18(29)12-6-2-1-5-11(12)15(24-25)9-17(27)28/h1-8H,9-10H2,(H,23,26)(H,27,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008458
PNG
(CHEMBL139898 | [4-Oxo-3-(5-phenyl-benzooxazol-2-yl...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3o2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17N3O4/c28-23(29)13-19-17-8-4-5-9-18(17)24(30)27(26-19)14-22-25-20-12-16(10-11-21(20)31-22)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,28,29)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008485
PNG
(CHEMBL423187 | [4-Oxo-3-(2-phenyl-thiazol-4-ylmeth...)
Show SMILES OC(=O)Cc1nn(Cc2csc(n2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3S/c24-18(25)10-17-15-8-4-5-9-16(15)20(26)23(22-17)11-14-12-27-19(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,25)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008467
PNG
(CHEMBL140375 | [4-Oxo-3-(3-phenyl-isothiazol-4-ylm...)
Show SMILES OC(=O)Cc1nn(Cc2csnc2-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3S/c24-18(25)10-17-15-8-4-5-9-16(15)20(26)23(21-17)11-14-12-27-22-19(14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50008488
PNG
((4-Oxo-3-quinolin-2-ylmethyl-3,4-dihydro-phthalazi...)
Show SMILES OC(=O)Cc1nn(Cc2ccc3ccccc3n2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c24-19(25)11-18-15-6-2-3-7-16(15)20(26)23(22-18)12-14-10-9-13-5-1-4-8-17(13)21-14/h1-10H,11-12H2,(H,24,25)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against aldose reductase isolated from human placenta

J Med Chem 35: 457-65 (1992)


BindingDB Entry DOI: 10.7270/Q28051K1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%