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72 similar compounds to monomer 16452

Compile data set for download or QSAR
Wt: 401.4
BDBM50006462
Wt: 351.3
BDBM50006463
Wt: 383.3
BDBM50006464
Wt: 420.3
BDBM50006469
Wt: 369.3
BDBM50006472
Wt: 397.3
BDBM50006473
Wt: 420.3
BDBM50006474
Wt: 430.2
BDBM50009781
Wt: 397.4
BDBM50009782
Wt: 420.2
BDBM50009783
Wt: 420.2
BDBM50009784
Wt: 396.3
BDBM50009785
Wt: 430.2
BDBM50009786
Wt: 381.4
BDBM50009787
Wt: 413.4
BDBM50009789
Displayed 1 to 15 (of 72 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50006462,50006463,50006464,50006469,50006472,50006473,50006474,50009781,50009782,50009783,50009784,50009785,50009786,50009787,50009789   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006462
PNG
((3-Benzothiazol-2-ylmethyl-4-oxo-3,4-dihydro-benzo...)
Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc3ccccc3cc12
Show InChI InChI=1S/C22H15N3O3S/c26-21(27)11-18-15-9-13-5-1-2-6-14(13)10-16(15)22(28)25(24-18)12-20-23-17-7-3-4-8-19(17)29-20/h1-10H,11-12H2,(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006464
PNG
(CHEMBL303210 | [4-Methyl-6-oxo-1-(5-trifluoromethy...)
Show SMILES Cc1cc(=O)n(Cc2nc3cc(ccc3s2)C(F)(F)F)nc1CC(O)=O
Show InChI InChI=1S/C16H12F3N3O3S/c1-8-4-14(23)22(21-10(8)6-15(24)25)7-13-20-11-5-9(16(17,18)19)2-3-12(11)26-13/h2-5H,6-7H2,1H3,(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006469
PNG
(CHEMBL69956 | [8-Oxo-7-(5-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C18H11F3N4O3S/c19-18(20,21)9-3-4-13-12(6-9)23-14(29-13)8-25-17(28)16-10(2-1-5-22-16)11(24-25)7-15(26)27/h1-6H,7-8H2,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006473
PNG
(CHEMBL69350 | [4,5-Dimethyl-6-oxo-1-(5-trifluorome...)
Show SMILES Cc1c(CC(O)=O)nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C17H14F3N3O3S/c1-8-9(2)16(26)23(22-11(8)6-15(24)25)7-14-21-12-5-10(17(18,19)20)3-4-13(12)27-14/h3-5H,6-7H2,1-2H3,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006472
PNG
(CHEMBL69183 | [6-Oxo-1-(5-trifluoromethyl-benzothi...)
Show SMILES OC(=O)Cc1ccc(=O)n(Cc2nc3cc(ccc3s2)C(F)(F)F)n1
Show InChI InChI=1S/C15H10F3N3O3S/c16-15(17,18)8-1-3-11-10(5-8)19-12(25-11)7-21-13(22)4-2-9(20-21)6-14(23)24/h1-5H,6-7H2,(H,23,24)
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n/an/a 340n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006474
PNG
(CHEMBL309132 | [5-Oxo-6-(5-trifluoromethyl-benzoth...)
Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C18H11F3N4O3S/c19-18(20,21)9-3-4-13-11(6-9)23-14(29-13)8-25-17(28)10-2-1-5-22-16(10)12(24-25)7-15(26)27/h1-6H,7-8H2,(H,26,27)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 34: 108-22 (1991)


Article DOI: 10.1021/jm00105a018
BindingDB Entry DOI: 10.7270/Q2513X6H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


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



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase isolated from human placenta


J Med Chem 35: 2155-62 (1992)


Article DOI: 10.1021/jm00090a002
BindingDB Entry DOI: 10.7270/Q2KK99RR
More data for this
Ligand-Target Pair