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PubMed code 12392738

Compile data set for download or QSAR
Found 15 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))		BDBM50120529
PNG
(Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-...)
Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C25H21N5O5/c1-15(31)33-13-24(32)30(2)21-6-4-3-5-18(21)23-12-28-25(35-23)29-16-7-8-17-19(10-27-20(17)9-16)22-11-26-14-34-22/h3-12,14,27H,13H2,1-2H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120535
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl-urea | C...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)cc1
Show InChI InChI=1S/C19H16N4O2/c1-12-2-4-13(5-3-12)22-19(24)23-14-6-7-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50113230
PNG
(BMS-337197 | CHEMBL64830 | N-{2-[2-(3-Methoxy-4-ox...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCOCC2)ccc1-c1cnco1
Show InChI InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120526
PNG
(CHEMBL112405 | N-Methyl-2-morpholin-4-yl-N-{2-[2-(...)
Show SMILES CN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C27H26N6O4/c1-32(26(34)16-33-8-10-35-11-9-33)23-5-3-2-4-20(23)25-15-30-27(37-25)31-18-6-7-19-21(13-29-22(19)12-18)24-14-28-17-36-24/h2-7,12-15,17,29H,8-11,16H2,1H3,(H,30,31)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120525
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-o-tolyl-urea | C...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc2c(c[nH]c2c1)-c1cnco1
Show InChI InChI=1S/C19H16N4O2/c1-12-4-2-3-5-16(12)23-19(24)22-13-6-7-14-15(9-21-17(14)8-13)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120531
PNG
((3-Oxazol-5-yl-1H-indol-6-yl)-(5-o-tolyl-oxazol-2-...)
Show SMILES Cc1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C21H16N4O2/c1-13-4-2-3-5-15(13)20-11-24-21(27-20)25-14-6-7-16-17(9-23-18(16)8-14)19-10-22-12-26-19/h2-12,23H,1H3,(H,24,25)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120528
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-phenyl-urea | CH...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2c(c[nH]c2c1)-c1cnco1
Show InChI InChI=1S/C18H14N4O2/c23-18(21-12-4-2-1-3-5-12)22-13-6-7-14-15(9-20-16(14)8-13)17-10-19-11-24-17/h1-11,20H,(H2,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120530
PNG
((3-Oxazol-5-yl-1H-indol-6-yl)-(5-m-tolyl-oxazol-2-...)
Show SMILES Cc1cccc(c1)-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C21H16N4O2/c1-13-3-2-4-14(7-13)19-11-24-21(27-19)25-15-5-6-16-17(9-23-18(16)8-15)20-10-22-12-26-20/h2-12,23H,1H3,(H,24,25)
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n/an/a 77n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120533
PNG
((3-Oxazol-5-yl-1H-indol-6-yl)-(5-phenyl-oxazol-2-y...)
Show SMILES N(c1ncc(o1)-c1ccccc1)c1ccc2c(c[nH]c2c1)-c1cnco1
Show InChI InChI=1S/C20H14N4O2/c1-2-4-13(5-3-1)18-11-23-20(26-18)24-14-6-7-15-16(9-22-17(15)8-14)19-10-21-12-25-19/h1-12,22H,(H,23,24)
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n/an/a 93n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120527
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-m-tolyl-urea | C...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)c1
Show InChI InChI=1S/C19H16N4O2/c1-12-3-2-4-13(7-12)22-19(24)23-14-5-6-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120532
PNG
((3-Oxazol-5-yl-1H-indol-6-yl)-(5-p-tolyl-oxazol-2-...)
Show SMILES Cc1ccc(cc1)-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C21H16N4O2/c1-13-2-4-14(5-3-13)19-11-24-21(27-19)25-15-6-7-16-17(9-23-18(16)8-15)20-10-22-12-26-20/h2-12,23H,1H3,(H,24,25)
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n/an/a 205n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120534
PNG
(1-(1-Methyl-3-oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(cn(C)c3c2)-c2cnco2)cc1
Show InChI InChI=1S/C20H18N4O2/c1-13-3-5-14(6-4-13)22-20(25)23-15-7-8-16-17(19-10-21-12-26-19)11-24(2)18(16)9-15/h3-12H,1-2H3,(H2,22,23,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50120536
PNG
(1-(1-Methyl-3-oxazol-5-yl-1H-indol-6-yl)-3-m-tolyl...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3c(cn(C)c3c2)-c2cnco2)c1
Show InChI InChI=1S/C20H18N4O2/c1-13-4-3-5-14(8-13)22-20(25)23-15-6-7-16-17(19-10-21-12-26-19)11-24(2)18(16)9-15/h3-12H,1-2H3,(H2,22,23,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119045
PNG
(1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea ...)
Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1
Show InChI InChI=1S/C18H17N3O3/c1-12-4-3-5-13(8-12)20-18(22)21-14-6-7-15(16(9-14)23-2)17-10-19-11-24-17/h3-11H,1-2H3,(H2,20,21,22)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined

Bioorg Med Chem Lett 12: 3305-8 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%