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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase 2' AND taxid = 10090   
Target
(Institution)
LigandTarget
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-5'-monophosphate dehydrogenase 2


(Mus musculus)
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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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
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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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019476
PNG
(CHEMBL48277 | alpha-methylene-Thiazole-4-carboxami...)
Show SMILES NC(=O)c1csc(n1)C1OC(CCP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)12(29)9(39-20)3-37-42(35,36)40-41(33,34)2-1-8-11(28)13(30)15(38-8)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.97E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019477
PNG
(CHEMBL49226 | gama-methylene-Thiazole-4-carboxamid...)
Show SMILES NC(=O)c1csc(n1)C1OC(COP(O)(=O)OP(O)(=O)CCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)11(28)8(39-20)1-2-41(33,34)40-42(35,36)37-3-9-12(29)13(30)15(38-9)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50356643
PNG
(CHEMBL1917198)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(31)32-26-19-17-18-23-24(29)21-22-25(30)28(23)26/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase type 2


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50356642
PNG
(CHEMBL1917196)
Show SMILES CCCCCCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12
Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-8-9-10-14-21(25)26-20-13-11-12-17-18(23)15-16-19(24)22(17)20/h11-13,15-16H,2-10,14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase type 2


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50448690
PNG
(CHEMBL3127728)
Show SMILES CCCCC(=O)C=C(C)C=CCCC(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5,8,13H,3-4,6-7,9-12H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50448691
PNG
(CHEMBL3127729)
Show SMILES C\C(\C=C\CCC(=O)N1CCCC1=O)=C/C1CCCCO1
Show InChI InChI=1S/C17H25NO3/c1-14(13-15-8-4-5-12-21-15)7-2-3-9-16(19)18-11-6-10-17(18)20/h2,7,13,15H,3-6,8-12H2,1H3/b7-2+,14-13+
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50379293
PNG
(CHEMBL2011648)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50379294
PNG
(CHEMBL2011647)
Show SMILES Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O
Show InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50448688
PNG
(PECILOCIN | Pecilocin | Variotin)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2


Citation and Details
More data for this
Ligand-Target Pair