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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'nelson' and Initial = 'ph'   
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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054042
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydr...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C=C
Show InChI InChI=1S/C18H20O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h4-5,21H,1,6-9H2,2-3H3,(H,19,20)/b10-5+
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n/an/a 8.51n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054021
PNG
((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 12.6n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054019
PNG
((E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-is...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O
Show InChI InChI=1S/C17H20O5/c1-9(5-7-14(18)19)4-6-12-10(2)11(3)13-8-22-17(21)15(13)16(12)20/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 18.6n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 20n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 24.8n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 25n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053997
PNG
((E)-6-(3-Chloro-2-hydroxy-6-methoxy-4,5-dimethyl-p...)
Show SMILES COc1c(C)c(C)c(Cl)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21ClO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 33.5n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054004
PNG
((E)-6-(3-Bromo-2-hydroxy-6-methoxy-4,5-dimethyl-ph...)
Show SMILES COc1c(C)c(C)c(Br)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21BrO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 36.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054002
PNG
((E)-6-(6-Cyclopropyl-4-hydroxy-7-methyl-3-oxo-1,3-...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C1CC1
Show InChI InChI=1S/C19H22O5/c1-10(4-8-15(20)21)3-7-13-16(12-5-6-12)11(2)14-9-24-19(23)17(14)18(13)22/h3,12,22H,4-9H2,1-2H3,(H,20,21)/b10-3+
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n/an/a 50.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054020
PNG
((E)-6-(3-Chloro-2-hydroxy-4,5,6-trimethyl-phenyl)-...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c(C)c(Cl)c1O
Show InChI InChI=1S/C16H21ClO3/c1-9(6-8-14(18)19)5-7-13-11(3)10(2)12(4)15(17)16(13)20/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 69.3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054017
PNG
((E)-6-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-is...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1O
Show InChI InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+
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n/an/a 87.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054034
PNG
((E)-6-(6-Ethoxy-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCOc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-4-23-17-11(3)13-9-24-18(22)15(13)16(21)12(17)7-5-10(2)6-8-14(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 89.8n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054032
PNG
((E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihy...)
Show SMILES COc1c(C)c2CSC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O5S/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 121n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054016
PNG
((E)-6-(4-Hydroxy-6,7-dimethoxy-3-oxo-1,3-dihydro-i...)
Show SMILES COc1c2COC(=O)c2c(O)c(C\C=C(/C)CCC(O)=O)c1OC
Show InChI InChI=1S/C17H20O7/c1-9(5-7-12(18)19)4-6-10-14(20)13-11(8-24-17(13)21)16(23-3)15(10)22-2/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 126n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053992
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-phenyl-1,3-dihyd...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1-c1ccccc1
Show InChI InChI=1S/C22H22O5/c1-13(9-11-18(23)24)8-10-16-19(15-6-4-3-5-7-15)14(2)17-12-27-22(26)20(17)21(16)25/h3-8,25H,9-12H2,1-2H3,(H,23,24)/b13-8+
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n/an/a 130n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053989
PNG
((E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-indan-5-...)
Show SMILES COc1c(C)c2CCC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O5/c1-10(5-9-15(20)21)4-6-13-17(22)16-12(7-8-14(16)19)11(2)18(13)23-3/h4,22H,5-9H2,1-3H3,(H,20,21)/b10-4+
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n/an/a 140n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054027
PNG
((E)-6-(2-Hydroxy-6-methoxy-4,5-dimethyl-3-nitro-ph...)
Show SMILES COc1c(C)c(C)c(c(O)c1C\C=C(/C)CCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H21NO6/c1-9(6-8-13(18)19)5-7-12-15(20)14(17(21)22)10(2)11(3)16(12)23-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 184n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022273
PNG
(2-(4-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cy...)
Show SMILES CC(C(O)=O)c1cc(O)c2c(CCc3ccccc3C2=O)c1
Show InChI InChI=1S/C18H16O4/c1-10(18(21)22)13-8-12-7-6-11-4-2-3-5-14(11)17(20)16(12)15(19)9-13/h2-5,8-10,19H,6-7H2,1H3,(H,21,22)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054008
PNG
((E)-6-(6-Carbamoyl-4-hydroxy-7-methyl-3-oxo-1,3-di...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C(N)=O
Show InChI InChI=1S/C17H19NO6/c1-8(4-6-12(19)20)3-5-10-13(16(18)22)9(2)11-7-24-17(23)14(11)15(10)21/h3,21H,4-7H2,1-2H3,(H2,18,22)(H,19,20)/b8-3+
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n/an/a 231n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054015
PNG
((E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-2,3-dihy...)
Show SMILES COc1c(C)c2CNC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H21NO5/c1-9(5-7-13(19)20)4-6-11-15(21)14-12(8-18-17(14)22)10(2)16(11)23-3/h4,21H,5-8H2,1-3H3,(H,18,22)(H,19,20)/b9-4+
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n/an/a 244n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053993
PNG
((E)-6-(2-Hydroxy-4,5,6-trimethyl-3-nitro-phenyl)-4...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c(C)c(c1O)[N+]([O-])=O
Show InChI InChI=1S/C16H21NO5/c1-9(6-8-14(18)19)5-7-13-11(3)10(2)12(4)15(16(13)20)17(21)22/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 289n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022265
PNG
((11-Oxo-6,11-dihydro-dibenzo[b,e]oxepin-3-yl)-acet...)
Show SMILES OC(=O)Cc1ccc2c(OCc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053994
PNG
((E)-6-(7-Ethyl-4-hydroxy-6-methoxy-3-oxo-1,3-dihyd...)
Show SMILES CCc1c2COC(=O)c2c(O)c(C\C=C(/C)CCC(O)=O)c1OC
Show InChI InChI=1S/C18H22O6/c1-4-11-13-9-24-18(22)15(13)16(21)12(17(11)23-3)7-5-10(2)6-8-14(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 410n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054029
PNG
((E)-6-(4-Hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2C(C)OC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-9(6-8-13(19)20)5-7-12-16(21)15-14(10(2)17(12)23-4)11(3)24-18(15)22/h5,11,21H,6-8H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 420n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054043
PNG
((E)-6-(3-Chloro-2-fluoro-6-methoxy-4,5-dimethyl-ph...)
Show SMILES COc1c(C)c(C)c(Cl)c(F)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H20ClFO3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 437n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054003
PNG
((E)-6-(2-Amino-3-bromo-6-methoxy-4,5-dimethyl-phen...)
Show SMILES COc1c(C)c(C)c(Br)c(N)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H22BrNO3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8,18H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 462n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054018
PNG
((E)-6-(2-Amino-6-methoxy-4,5-dimethyl-3-nitro-phen...)
Show SMILES COc1c(C)c(C)c(c(N)c1C\C=C(/C)CCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H22N2O5/c1-9(6-8-13(19)20)5-7-12-14(17)15(18(21)22)10(2)11(3)16(12)23-4/h5H,6-8,17H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 465n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053998
PNG
((E)-6-(2-Amino-3-chloro-6-methoxy-4,5-dimethyl-phe...)
Show SMILES COc1c(C)c(C)c(Cl)c(N)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H22ClNO3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8,18H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 489n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054039
PNG
((E)-6-(4-Hydroxy-6-methoxy-3-oxo-1,3-dihydro-isobe...)
Show SMILES COc1cc2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H18O6/c1-9(4-6-13(17)18)3-5-11-12(21-2)7-10-8-22-16(20)14(10)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+
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n/an/a 515n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054040
PNG
((E)-6-(3-Cyano-2-hydroxy-6-methoxy-4,5-dimethyl-ph...)
Show SMILES COc1c(C)c(C)c(C#N)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H21NO4/c1-10(6-8-15(19)20)5-7-13-16(21)14(9-18)11(2)12(3)17(13)22-4/h5,21H,6-8H2,1-4H3,(H,19,20)/b10-5+
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n/an/a 534n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054013
PNG
((E)-6-(5-Chloro-2-methoxy-3,4-dimethyl-phenyl)-4-m...)
Show SMILES COc1c(C)c(C)c(Cl)cc1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21ClO3/c1-10(6-8-15(18)19)5-7-13-9-14(17)11(2)12(3)16(13)20-4/h5,9H,6-8H2,1-4H3,(H,18,19)/b10-5+
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n/an/a 537n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054012
PNG
((E)-6-(2,3-Dichloro-6-methoxy-4,5-dimethyl-phenyl)...)
Show SMILES COc1c(C)c(C)c(Cl)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H20Cl2O3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 557n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054025
PNG
((E)-6-(2-Hydroxy-3-iodo-6-methoxy-4,5-dimethyl-phe...)
Show SMILES COc1c(C)c(C)c(I)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21IO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 592n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054045
PNG
((E)-6-(3-Bromo-2-hydroxy-4,5,6-trimethyl-phenyl)-4...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c(C)c(Br)c1O
Show InChI InChI=1S/C16H21BrO3/c1-9(6-8-14(18)19)5-7-13-11(3)10(2)12(4)15(17)16(13)20/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 620n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053999
PNG
((E)-6-(8-Hydroxy-6-methoxy-5-methyl-1-oxo-isochrom...)
Show SMILES COc1c(C)c2CCOC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-10(5-7-14(19)20)4-6-13-16(21)15-12(8-9-24-18(15)22)11(2)17(13)23-3/h4,21H,5-9H2,1-3H3,(H,19,20)/b10-4+
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n/an/a 644n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054024
PNG
((E)-6-(2-Chloro-3-cyano-6-methoxy-4,5-dimethyl-phe...)
Show SMILES COc1c(C)c(C)c(C#N)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20ClNO3/c1-10(6-8-15(20)21)5-7-13-16(18)14(9-19)11(2)12(3)17(13)22-4/h5H,6-8H2,1-4H3,(H,20,21)/b10-5+
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n/an/a 681n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022274
PNG
((5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepte...)
Show SMILES OC(=O)Cc1ccc2c(SCc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022263
PNG
((4-Hydroxy-5-oxo-5H-dibenzo[a,d]cyclohepten-2-yl)-...)
Show SMILES OC(=O)Cc1cc(O)c2c(c1)ccc1ccccc1c2=O
Show InChI InChI=1S/C17H12O4/c18-14-8-10(9-15(19)20)7-12-6-5-11-3-1-2-4-13(11)17(21)16(12)14/h1-8,18H,9H2,(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054007
PNG
((E)-6-(2-Amino-3-bromo-4,5,6-trimethyl-phenyl)-4-m...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c(C)c(Br)c1N
Show InChI InChI=1S/C16H22BrNO2/c1-9(6-8-14(19)20)5-7-13-11(3)10(2)12(4)15(17)16(13)18/h5H,6-8,18H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 763n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022260
PNG
(11,12-Dihydro-3H-1-oxa-benzo[4,5]cyclohepta[1,2-e]...)
Show SMILES O=C1Cc2ccc3c(CCc4ccccc4C3=O)c2O1
Show InChI InChI=1S/C17H12O3/c18-15-9-11-6-7-13-14(17(11)20-15)8-5-10-3-1-2-4-12(10)16(13)19/h1-4,6-7H,5,8-9H2
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n/an/a 770n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054033
PNG
((E)-6-(5-Bromo-2-methoxy-3,4-dimethyl-phenyl)-4-me...)
Show SMILES COc1c(C)c(C)c(Br)cc1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21BrO3/c1-10(6-8-15(18)19)5-7-13-9-14(17)11(2)12(3)16(13)20-4/h5,9H,6-8H2,1-4H3,(H,18,19)/b10-5+
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n/an/a 795n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022264
PNG
((7-Hydroxy-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycl...)
Show SMILES OC(=O)Cc1ccc2c(CCc3ccc(O)cc3C2=O)c1
Show InChI InChI=1S/C17H14O4/c18-13-5-4-11-2-3-12-7-10(8-16(19)20)1-6-14(12)17(21)15(11)9-13/h1,4-7,9,18H,2-3,8H2,(H,19,20)
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010605
PNG
(6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCC(O)=O
Show InChI InChI=1S/C16H20O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h19H,3-8H2,1-2H3,(H,17,18)
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n/an/a 940n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054009
PNG
((E)-6-(2-Hydroxy-6-methoxy-3,4,5-trimethyl-phenyl)...)
Show SMILES COc1c(C)c(C)c(C)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H24O4/c1-10(7-9-15(18)19)6-8-14-16(20)12(3)11(2)13(4)17(14)21-5/h6,20H,7-9H2,1-5H3,(H,18,19)/b10-6+
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n/an/a 959n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054041
PNG
((E)-6-(7-Bromo-4-hydroxy-6-methoxy-3-oxo-1,3-dihyd...)
Show SMILES COc1c(Br)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H17BrO6/c1-8(4-6-11(18)19)3-5-9-14(20)12-10(7-23-16(12)21)13(17)15(9)22-2/h3,20H,4-7H2,1-2H3,(H,18,19)/b8-3+
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n/an/a 975n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022268
PNG
((5-Oxo-5H-dibenzo[a,d]cyclohepten-2-yl)-acetic aci...)
Show SMILES OC(=O)Cc1ccc2c(c1)ccc1ccccc1c2=O
Show InChI InChI=1S/C17H12O3/c18-16(19)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)17(15)20/h1-9H,10H2,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lens aldose reductase.


J Med Chem 29: 2347-51 (1986)


Article DOI: 10.1021/jm00161a033
BindingDB Entry DOI: 10.7270/Q23R0RWW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054047
PNG
((E)-6-(3-Bromo-2-chloro-6-methoxy-4,5-dimethyl-phe...)
Show SMILES COc1c(C)c(C)c(Br)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H20BrClO3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 1.04E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054026
PNG
((E)-6-(3-Fluoro-2-hydroxy-6-methoxy-4,5-dimethyl-p...)
Show SMILES COc1c(C)c(C)c(F)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21FO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
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n/an/a 1.08E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010602
PNG
(3-[2-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC1CC1(C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-9-12-8-24-17(22)14(12)15(21)11(16(9)23-3)6-10-7-18(10,2)5-4-13(19)20/h10,21H,4-8H2,1-3H3,(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
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