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PubMed code 9016322

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369231
PNG
(CHEMBL610230)
Show SMILES OC(O)c1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H15N4O10P/c16-5-3(1-24-26(21,22)23)25-10(6(5)17)15-2-12-4-8(15)13-7(11(19)20)14-9(4)18/h2-3,5-6,10-11,16-17,19-20H,1H2,(H,13,14,18)(H2,21,22,23)/t3-,5-,6-,10?/m0/s1
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Article
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n/an/a 440n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369237
PNG
(CHEMBL607644)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(C=C)[nH]c2=O |r|
Show InChI InChI=1S/C12H15N4O8P/c1-2-6-14-10-7(11(19)15-6)13-4-16(10)12-9(18)8(17)5(24-12)3-23-25(20,21)22/h2,4-5,8-9,12,17-18H,1,3H2,(H,14,15,19)(H2,20,21,22)/t5-,8-,9-,12?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369232
PNG
(CHEMBL607643)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(CF)[nH]c2=O |r|
Show InChI InChI=1S/C11H14FN4O8P/c12-1-5-14-9-6(10(19)15-5)13-3-16(9)11-8(18)7(17)4(24-11)2-23-25(20,21)22/h3-4,7-8,11,17-18H,1-2H2,(H,14,15,19)(H2,20,21,22)/t4-,7-,8-,11?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369234
PNG
(CHEMBL608491)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(CCl)[nH]c2=O |r|
Show InChI InChI=1S/C11H14ClN4O8P/c12-1-5-14-9-6(10(19)15-5)13-3-16(9)11-8(18)7(17)4(24-11)2-23-25(20,21)22/h3-4,7-8,11,17-18H,1-2H2,(H,14,15,19)(H2,20,21,22)/t4-,7-,8-,11?/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369236
PNG
(CHEMBL611912)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(C=Cc1ccccc1)[nH]c2=O |r,w:21.23|
Show InChI InChI=1S/C18H19N4O8P/c23-14-11(8-29-31(26,27)28)30-18(15(14)24)22-9-19-13-16(22)20-12(21-17(13)25)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,23-24H,8H2,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369239
PNG
(CHEMBL607919)
Show SMILES OCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H15N4O9P/c16-1-5-13-9-6(10(19)14-5)12-3-15(9)11-8(18)7(17)4(24-11)2-23-25(20,21)22/h3-4,7-8,11,16-18H,1-2H2,(H,13,14,19)(H2,20,21,22)/t4-,7-,8-,11?/m0/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369233
PNG
(CHEMBL607940)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(CCc1ccccc1)[nH]c2=O |r|
Show InChI InChI=1S/C18H21N4O8P/c23-14-11(8-29-31(26,27)28)30-18(15(14)24)22-9-19-13-16(22)20-12(21-17(13)25)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,23-24H,6-8H2,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369235
PNG
(CHEMBL610231)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)C(F)(F)F |r|
Show InChI InChI=1S/C11H12F3N4O8P/c12-11(13,14)10-16-7-4(8(21)17-10)15-2-18(7)9-6(20)5(19)3(26-9)1-25-27(22,23)24/h2-3,5-6,9,19-20H,1H2,(H,16,17,21)(H2,22,23,24)/t3-,5-,6-,9?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50369238
PNG
(CHEMBL607922)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)C(F)F |r|
Show InChI InChI=1S/C11H13F2N4O8P/c12-7(13)8-15-9-4(10(20)16-8)14-2-17(9)11-6(19)5(18)3(25-11)1-24-26(21,22)23/h2-3,5-7,11,18-19H,1H2,(H,15,16,20)(H2,21,22,23)/t3-,5-,6-,11?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50367210
PNG
(CHEMBL610157)
Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H15N4O8P/c1-4-13-9-6(10(18)14-4)12-3-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,16-17H,2H2,1H3,(H,13,14,18)(H2,19,20,21)/t5-,7-,8-,11?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay


J Med Chem 40: 4-8 (1997)


Article DOI: 10.1021/jm960732v
BindingDB Entry DOI: 10.7270/Q2QR4XR8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%