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PubMed code 11965381

Compile data set for download or QSAR
Found 22 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))
BDBM50112565
PNG
(CHEMBL25138 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112554
PNG
(CHEMBL416932 | N-(1-Hydroxymethyl-cyclopentyl)-N'-...)
Show SMILES COc1cc(NC(=O)C(=O)NC2(CO)CCCC2)ccc1-c1cnco1
Show InChI InChI=1S/C18H21N3O5/c1-25-14-8-12(4-5-13(14)15-9-19-11-26-15)20-16(23)17(24)21-18(10-22)6-2-3-7-18/h4-5,8-9,11,22H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,24)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112562
PNG
(CHEMBL27777 | N-(2-Hydroxy-1,1-dimethyl-ethyl)-N'-...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)CO)ccc1-c1cnco1
Show InChI InChI=1S/C16H19N3O5/c1-16(2,8-20)19-15(22)14(21)18-10-4-5-11(12(6-10)23-3)13-7-17-9-24-13/h4-7,9,20H,8H2,1-3H3,(H,18,21)(H,19,22)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112563
PNG
(CHEMBL25681 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C21H21N3O4/c1-21(2,14-7-5-4-6-8-14)24-20(26)19(25)23-15-9-10-16(17(11-15)27-3)18-12-22-13-28-18/h4-13H,1-3H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112566
PNG
(CHEMBL25179 | {3-[(3-Methoxy-4-oxazol-5-yl-phenyla...)
Show SMILES COc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)O[C@@H]3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C24H24N4O7/c1-32-20-10-17(5-6-19(20)21-12-25-14-34-21)28-23(30)22(29)27-16-4-2-3-15(9-16)11-26-24(31)35-18-7-8-33-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112556
PNG
(CHEMBL24840 | N-(2-Dimethylamino-1,1-dimethyl-ethy...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)CN(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C18H24N4O4/c1-18(2,10-22(3)4)21-17(24)16(23)20-12-6-7-13(14(8-12)25-5)15-9-19-11-26-15/h6-9,11H,10H2,1-5H3,(H,20,23)(H,21,24)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112558
PNG
(CHEMBL24866 | N-(3-Bromo-4-oxazol-5-yl-phenyl)-N'-...)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Br)c1
Show InChI InChI=1S/C15H16BrN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112573
PNG
(CHEMBL283256 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES COc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112568
PNG
(CHEMBL24092 | N-tert-Butyl-N'-(3-chloro-4-oxazol-5...)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112561
PNG
(2-[(3-Methoxy-4-oxazol-5-yl-phenylaminooxalyl)-ami...)
Show SMILES COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
Show InChI InChI=1S/C17H19N3O6/c1-17(2,16(23)25-4)20-15(22)14(21)19-10-5-6-11(12(7-10)24-3)13-8-18-9-26-13/h5-9H,1-4H3,(H,19,21)(H,20,22)
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n/an/a 74n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112553
PNG
(CHEMBL24737 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H17N3O4/c1-25-16-9-14(7-8-15(16)17-11-20-12-26-17)22-19(24)10-18(23)21-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,23)(H,22,24)
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112572
PNG
(CHEMBL25689 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)CC(=O)Nc2cccc(C)c2)ccc1-c1cnco1
Show InChI InChI=1S/C20H19N3O4/c1-13-4-3-5-14(8-13)22-19(24)10-20(25)23-15-6-7-16(17(9-15)26-2)18-11-21-12-27-18/h3-9,11-12H,10H2,1-2H3,(H,22,24)(H,23,25)
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n/an/a 440n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112555
PNG
(CHEMBL280799 | N-Cyclohexyl-N'-(3-methoxy-4-oxazol...)
Show SMILES COc1cc(NC(=O)C(=O)NC2CCCCC2)ccc1-c1cnco1
Show InChI InChI=1S/C18H21N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,20,22)(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112557
PNG
(CHEMBL27327 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)C(=O)N(C)c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H17N3O4/c1-22(14-6-4-3-5-7-14)19(24)18(23)21-13-8-9-15(16(10-13)25-2)17-11-20-12-26-17/h3-12H,1-2H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112564
PNG
(CHEMBL282697 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CCCNC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
Show InChI InChI=1S/C15H17N3O4/c1-3-6-17-14(19)15(20)18-10-4-5-11(12(7-10)21-2)13-8-16-9-22-13/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112574
PNG
(2-[(3-Methoxy-4-oxazol-5-yl-phenylaminooxalyl)-ami...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C(O)=O)ccc1-c1cnco1
Show InChI InChI=1S/C16H17N3O6/c1-16(2,15(22)23)19-14(21)13(20)18-9-4-5-10(11(6-9)24-3)12-7-17-8-25-12/h4-8H,1-3H3,(H,18,20)(H,19,21)(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112559
PNG
(CHEMBL280194 | N-Benzyl-N'-(3-methoxy-4-oxazol-5-y...)
Show SMILES COc1cc(NC(=O)C(=O)NCc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H17N3O4/c1-25-16-9-14(7-8-15(16)17-11-20-12-26-17)22-19(24)18(23)21-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,23)(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112567
PNG
(CHEMBL25087 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)
Show SMILES COc1cc(NC(=O)C(=O)N(C)C(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C17H21N3O4/c1-17(2,3)20(4)16(22)15(21)19-11-6-7-12(13(8-11)23-5)14-9-18-10-24-14/h6-10H,1-5H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112560
PNG
(CHEMBL28089 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2...)
Show SMILES COc1cc(NC(=O)C(=O)NNc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C18H16N4O4/c1-25-15-9-13(7-8-14(15)16-10-19-11-26-16)20-17(23)18(24)22-21-12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,23)(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112571
PNG
(CHEMBL27985 | N-tert-Butyl-N'-(4-oxazol-5-yl-pheny...)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C15H17N3O3/c1-15(2,3)18-14(20)13(19)17-11-6-4-10(5-7-11)12-8-16-9-21-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112570
PNG
(CHEMBL279957 | N-tert-Butyl-N'-[4-(4-methyl-oxazol...)
Show SMILES Cc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50112569
PNG
(CHEMBL27504 | N-Isopropyl-N'-(3-methoxy-4-oxazol-5...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C15H17N3O4/c1-9(2)17-14(19)15(20)18-10-4-5-11(12(6-10)21-3)13-7-16-8-22-13/h4-9H,1-3H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%