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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50017714   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 11n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185589
PNG
((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O
Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185586
PNG
((E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O
Show InChI InChI=1S/C16H21O6P/c1-4-11-10(3)13-7-22-16(18)14(13)15(17)12(11)6-5-9(2)8-23(19,20)21/h5-6,9,17H,4,7-8H2,1-3H3,(H2,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185592
PNG
((E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O
Show InChI InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+
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n/an/a 23n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185601
PNG
(CHEMBL380059)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C18H27N2O8PS/c1-4-13-12(3)15-10-28-18(22)16(15)17(21)14(13)6-5-11(2)9-20(30(19,26)27)7-8-29(23,24)25/h5,21H,4,6-10H2,1-3H3,(H2,19,26,27)(H2,23,24,25)/b11-5+
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n/an/a 24n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
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 32n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50185589
PNG
((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O
Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)
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n/an/a 37n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50185592
PNG
((E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O
Show InChI InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+
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n/an/a 38n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185595
PNG
((E)-2-(N-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28NO8PS/c1-5-14-13(3)16-11-28-19(22)17(16)18(21)15(14)7-6-12(2)10-20(30(4,26)27)8-9-29(23,24)25/h6,21H,5,7-11H2,1-4H3,(H2,23,24,25)/b12-6+
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n/an/a 68n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50185586
PNG
((E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O
Show InChI InChI=1S/C16H21O6P/c1-4-11-10(3)13-7-22-16(18)14(13)15(17)12(11)6-5-9(2)8-23(19,20)21/h5-6,9,17H,4,7-8H2,1-3H3,(H2,19,20,21)
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n/an/a 71n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185585
PNG
((E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihy...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCCP(O)(O)=O
Show InChI InChI=1S/C17H23O7P/c1-10(5-4-8-25(20,21)22)6-7-12-15(18)14-13(9-24-17(14)19)11(2)16(12)23-3/h6,18H,4-5,7-9H2,1-3H3,(H2,20,21,22)
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n/an/a 86n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185590
PNG
((2-{[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C17H25N2O9PS/c1-10(8-19(30(18,25)26)6-7-29(22,23)24)4-5-12-15(20)14-13(9-28-17(14)21)11(2)16(12)27-3/h4,20H,5-9H2,1-3H3,(H2,18,25,26)(H2,22,23,24)/b10-4+
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n/an/a 93n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185596
PNG
((E)-5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihy...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCP(O)(O)=O
Show InChI InChI=1S/C16H21O7P/c1-9(6-7-24(19,20)21)4-5-11-14(17)13-12(8-23-16(13)18)10(2)15(11)22-3/h4,17H,5-8H2,1-3H3,(H2,19,20,21)
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n/an/a 96n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185604
PNG
((E)-2-((4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-di...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(C)CCP(O)(O)=O
Show InChI InChI=1S/C19H28NO6P/c1-5-14-13(3)16-11-26-19(22)17(16)18(21)15(14)7-6-12(2)10-20(4)8-9-27(23,24)25/h6,21H,5,7-11H2,1-4H3,(H2,23,24,25)/b12-6+
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n/an/a 132n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185603
PNG
((E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihy...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O
Show InChI InChI=1S/C15H19O7P/c1-8(7-23(18,19)20)4-5-10-13(16)12-11(6-22-15(12)17)9(2)14(10)21-3/h4-5,8,16H,6-7H2,1-3H3,(H2,18,19,20)
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n/an/a 168n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185599
PNG
((E)-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O
Show InChI InChI=1S/C16H21O8P/c1-9(6-23-8-25(19,20)21)4-5-11-14(17)13-12(7-24-16(13)18)10(2)15(11)22-3/h4,17H,5-8H2,1-3H3,(H2,19,20,21)/b9-4+
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n/an/a 246n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185587
PNG
(7-hydroxy-5-methoxy-4-methyl-6-(3-methylbut-2-enyl...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)C
Show InChI InChI=1S/C15H18O4/c1-8(2)5-6-10-13(16)12-11(7-19-15(12)17)9(3)14(10)18-4/h5,16H,6-7H2,1-4H3
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n/an/a 254n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185594
PNG
((E)-7-hydroxy-5-methoxy-6-(4-methoxy-3-methylbut-2...)
Show SMILES COC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C16H20O5/c1-9(7-19-3)5-6-11-14(17)13-12(8-21-16(13)18)10(2)15(11)20-4/h5,17H,6-8H2,1-4H3/b9-5+
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n/an/a 273n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185588
PNG
((E)-dimethyl 4-(4-hydroxy-6-methoxy-7-methyl-3-oxo...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(=O)(OC)OC
Show InChI InChI=1S/C17H23O7P/c1-10(9-25(20,22-4)23-5)6-7-12-15(18)14-13(8-24-17(14)19)11(2)16(12)21-3/h6-7,10,18H,8-9H2,1-5H3
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n/an/a 289n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185598
PNG
((2-{[(E)-4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C18H26NO9PS/c1-11(9-19(30(4,25)26)7-8-29(22,23)24)5-6-13-16(20)15-14(10-28-18(15)21)12(2)17(13)27-3/h5,20H,6-10H2,1-4H3,(H2,22,23,24)/b11-5+
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n/an/a 498n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185602
PNG
((E)-2-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-d...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O
Show InChI InChI=1S/C17H24NO7P/c1-10(8-18-6-7-26(21,22)23)4-5-12-15(19)14-13(9-25-17(14)20)11(2)16(12)24-3/h4,18-19H,5-9H2,1-3H3,(H2,21,22,23)
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n/an/a 499n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185600
PNG
((1E,3E)-5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\C=C\P(O)(O)=O
Show InChI InChI=1S/C16H19O7P/c1-9(6-7-24(19,20)21)4-5-11-14(17)13-12(8-23-16(13)18)10(2)15(11)22-3/h4,6-7,17H,5,8H2,1-3H3,(H2,19,20,21)/b7-6+,9-4+
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n/an/a 506n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185597
PNG
((E)-2-(N-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)C=O
Show InChI InChI=1S/C18H24NO8P/c1-11(8-19(10-20)6-7-28(23,24)25)4-5-13-16(21)15-14(9-27-18(15)22)12(2)17(13)26-3/h4,10,21H,5-9H2,1-3H3,(H2,23,24,25)/b11-4+
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n/an/a 749n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185583
PNG
((E)-2-(N-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)C(C)=O
Show InChI InChI=1S/C19H26NO8P/c1-11(9-20(13(3)21)7-8-29(24,25)26)5-6-14-17(22)16-15(10-28-19(16)23)12(2)18(14)27-4/h5,22H,6-10H2,1-4H3,(H2,24,25,26)/b11-5+
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n/an/a 785n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185593
PNG
((E)-diethyl 2-(4-(4-hydroxy-6-methoxy-7-methyl-3-o...)
Show SMILES CCOP(=O)(CCNCC(C)=CCc1c(O)c2C(=O)OCc2c(C)c1OC)OCC
Show InChI InChI=1S/C21H32NO7P/c1-6-28-30(25,29-7-2)11-10-22-12-14(3)8-9-16-19(23)18-17(13-27-21(18)24)15(4)20(16)26-5/h8,22-23H,6-7,9-13H2,1-5H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185591
PNG
((E)-2-((4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(C)CCP(O)(O)=O
Show InChI InChI=1S/C18H26NO7P/c1-11(9-19(3)7-8-27(22,23)24)5-6-13-16(20)15-14(10-26-18(15)21)12(2)17(13)25-4/h5,20H,6-10H2,1-4H3,(H2,22,23,24)/b11-5+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185584
PNG
((E)-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCP(O)(O)=O
Show InChI InChI=1S/C16H22NO7P/c1-9(6-17-8-25(20,21)22)4-5-11-14(18)13-12(7-24-16(13)19)10(2)15(11)23-3/h4,17-18H,5-8H2,1-3H3,(H2,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair