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Compile Data Set for Download or QSAR

Found 15 hits from EP811-CNRS   
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 (ALR2)


(Bos taurus (Cattle))
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 7n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068078
PNG
(CHEMBL142239 | {5-[1-(1-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1c(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc2ccccc12
Show InChI InChI=1S/C17H13NO4S2/c1-22-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(21)18(9-14(19)20)17(23)24-13/h2-8H,9H2,1H3,(H,19,20)/b13-8-
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n/an/a 9n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068085
PNG
(CHEMBL358284 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2Br)C1=O
Show InChI InChI=1S/C16H10BrNO3S2/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-
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n/an/a 11n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068083
PNG
(CHEMBL358825 | {5-[1-(3-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cc3ccccc3cc2Br)C1=O
Show InChI InChI=1S/C16H10BrNO3S2/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 15n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068086
PNG
(CHEMBL142701 | {5-[1-(3-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1cc2ccccc2cc1\C=C1/SC(=S)N(CC(O)=O)C1=O
Show InChI InChI=1S/C17H13NO4S2/c1-22-13-7-11-5-3-2-4-10(11)6-12(13)8-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-8-
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n/an/a 20n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068074
PNG
(CHEMBL142001 | {5-[1-(3-Chloro-naphthalen-2-yl)-me...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Cl)C1=O
Show InChI InChI=1S/C16H10ClNO4S/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 48n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068075
PNG
(CHEMBL336874 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2Br)C1=O
Show InChI InChI=1S/C16H10BrNO4S/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-
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n/an/a 51n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068073
PNG
(CHEMBL143658 | {5-[1-(6-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2c1
Show InChI InChI=1S/C17H13NO4S2/c1-22-13-5-4-11-6-10(2-3-12(11)8-13)7-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-7-
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n/an/a 67n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068076
PNG
(CHEMBL143933 | {5-[1-(1-Nitro-naphthalen-2-yl)-met...)
Show SMILES OC(=O)Cn1c([O-])c([CH+]c2ccc3ccccc3c2[N+]([O-])=O)sc1=S
Show InChI InChI=1S/C16H10N2O5S2/c19-13(20)8-17-15(21)12(25-16(17)24)7-10-6-5-9-3-1-2-4-11(9)14(10)18(22)23/h1-7H,8H2,(H-,19,20,21)
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n/an/a 79n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068080
PNG
(CHEMBL142615 | {5-[1-Naphthalen-2-yl-meth-(Z)-ylid...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-14(19)9-17-15(20)13(22-16(17)21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,18,19)/b13-8-
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n/an/a 96n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068084
PNG
(CHEMBL142869 | {5-[1-(6-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1ccc2cc(\C=C3/SC(=O)N(CC(O)=O)C3=O)ccc2c1
Show InChI InChI=1S/C17H13NO5S/c1-23-13-5-4-11-6-10(2-3-12(11)8-13)7-14-16(21)18(9-15(19)20)17(22)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-7-
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n/an/a 101n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068081
PNG
(CHEMBL142390 | {5-[1-(3-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1cc2ccccc2cc1\C=C1/SC(=O)N(CC(O)=O)C1=O
Show InChI InChI=1S/C17H13NO5S/c1-23-13-7-11-5-3-2-4-10(11)6-12(13)8-14-16(21)18(9-15(19)20)17(22)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-8-
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n/an/a 128n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068077
PNG
(CHEMBL139720 | {5-[1-(1-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1c(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc2ccccc12
Show InChI InChI=1S/C17H13NO5S/c1-23-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(21)18(9-14(19)20)17(22)24-13/h2-8H,9H2,1H3,(H,19,20)/b13-8-
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n/an/a 150n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068082
PNG
(CHEMBL345945 | {5-[1-(3-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Br)C1=O
Show InChI InChI=1S/C16H10BrNO4S/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 153n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50068079
PNG
(CHEMBL142385 | {5-[1-Naphthalen-2-yl-meth-(Z)-ylid...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C16H11NO4S/c18-14(19)9-17-15(20)13(22-16(17)21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,18,19)/b13-8-
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n/an/a 269n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.


J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair