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Compile Data Set for Download or QSAR

Found 12 hits from Codon Pharmaceuticals, Inc.   
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
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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6n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nM


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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33n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nM


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369419
PNG
(CHEMBL610421)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6+/t18-,22-,23-,27?/m0/s1
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300n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform)


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50421763
PNG
(CHEMBL2364562)
Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50367389
PNG
(CHEMBL605602)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9+,11-,12+,13-,14+,15?,20?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369298
PNG
(CHEMBL605601)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H25F2N7O13P2S/c21-20(22,43(35,36)39-1-7-10(30)12(32)14(41-7)18-28-6(3-45-18)16(24)34)44(37,38)40-2-8-11(31)13(33)19(42-8)29-5-27-9-15(23)25-4-26-17(9)29/h3-5,7-8,10-14,19,30-33H,1-2H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t7-,8+,10-,11+,12-,13+,14?,19?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369299
PNG
(CHEMBL605181)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2F)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24FN7O13P2S/c20-9-7(39-19(12(9)29)27-5-25-10-15(21)23-4-24-17(10)27)1-36-41(32,33)40-42(34,35)37-2-8-11(28)13(30)14(38-8)18-26-6(3-43-18)16(22)31/h3-5,7-9,11-14,19,28-30H,1-2H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t7-,8+,9-,11+,12-,13+,14?,19?/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369297
PNG
(CHEMBL603794)
Show SMILES NC(=O)c1cccc(c1)C1O[C@H](COP(O)(=O)CP(O)(=O)OCC2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H30N6O13P2/c24-20-14-22(27-7-26-20)29(8-28-14)23-18(33)16(31)13(42-23)6-40-44(37,38)9-43(35,36)39-5-12-15(30)17(32)19(41-12)10-2-1-3-11(4-10)21(25)34/h1-4,7-8,12-13,15-19,23,30-33H,5-6,9H2,(H2,25,34)(H,35,36)(H,37,38)(H2,24,26,27)/t12-,13?,15-,16+,17-,18+,19?,23?/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369293
PNG
(CHEMBL608605)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OC[C@@H]2OC([C@H](F)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H24F3N7O12P2S/c21-9-11(31)7(42-19(9)30-5-28-10-15(24)26-4-27-17(10)30)1-39-43(35,36)20(22,23)44(37,38)40-2-8-12(32)13(33)14(41-8)18-29-6(3-45-18)16(25)34/h3-5,7-9,11-14,19,31-33H,1-2H2,(H2,25,34)(H,35,36)(H,37,38)(H2,24,26,27)/t7-,8+,9+,11-,12+,13+,14?,19?/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50454610
PNG
(CHEMBL2092769)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](F)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24FN7O13P2S/c20-9-11(28)7(39-19(9)27-5-25-10-15(21)23-4-24-17(10)27)1-36-41(32,33)40-42(34,35)37-2-8-12(29)13(30)14(38-8)18-26-6(3-43-18)16(22)31/h3-5,7-9,11-14,19,28-30H,1-2H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t7-,8+,9-,11-,12+,13+,14+,19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369296
PNG
(CHEMBL608606)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@H](F)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H26FN7O12P2S/c21-10-12(29)8(40-20(10)28-5-26-11-16(22)24-4-25-18(11)28)1-37-41(33,34)6-42(35,36)38-2-9-13(30)14(31)15(39-9)19-27-7(3-43-19)17(23)32/h3-5,8-10,12-15,20,29-31H,1-2,6H2,(H2,23,32)(H,33,34)(H,35,36)(H2,22,24,25)/t8-,9+,10+,12-,13+,14+,15?,20?/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50369295
PNG
(CHEMBL607730)
Show SMILES NC(=O)c1cccc(c1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@H](F)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29FN6O12P2/c24-14-16(31)12(42-23(14)30-8-29-15-20(25)27-7-28-22(15)30)5-39-43(35,36)9-44(37,38)40-6-13-17(32)18(33)19(41-13)10-2-1-3-11(4-10)21(26)34/h1-4,7-8,12-14,16-19,23,31-33H,5-6,9H2,(H2,26,34)(H,35,36)(H,37,38)(H2,25,27,28)/t12-,13+,14+,16-,17+,18+,19?,23?/m0/s1
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n/an/a 1.75E+5n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair