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PubMed code 12270177

Compile data set for download or QSAR
Found 23 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))		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
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119113
PNG
(1-{3-[N'-(3-Methoxy-4-oxazol-5-yl-phenyl)-N''-cyan...)
Show SMILES COc1cc(NC(Nc2cccc(CN=C(NC#N)Oc3ccccc3)c2)=NC#N)ccc1-c1cnco1 |w:27.29,14.13|
Show InChI InChI=1S/C27H22N8O3/c1-36-24-13-21(10-11-23(24)25-15-30-18-37-25)35-26(32-16-28)34-20-7-5-6-19(12-20)14-31-27(33-17-29)38-22-8-3-2-4-9-22/h2-13,15,18H,14H2,1H3,(H,31,33)(H2,32,34,35)
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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
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
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 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119128
PNG
(CHEMBL98265 | {3-[N'-(3-Methoxy-4-oxazol-5-yl-phen...)
Show SMILES COc1cc(NC(Nc2cccc(CNC(=O)OCC3CCOC3)c2)=NC#N)ccc1-c1cnco1 |w:25.27|
Show InChI InChI=1S/C25H26N6O5/c1-33-22-10-20(5-6-21(22)23-12-27-16-36-23)31-24(29-15-26)30-19-4-2-3-17(9-19)11-28-25(32)35-14-18-7-8-34-13-18/h2-6,9-10,12,16,18H,7-8,11,13-14H2,1H3,(H,28,32)(H2,29,30,31)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for it's in vitro inhibitor potency against inosine monophosphate dehydrogenase II (IMPDH II)

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119120
PNG
(CHEMBL101941 | N-Butyl-3-[N'-(3-methoxy-4-oxazol-5...)
Show SMILES CCCCNC(=O)c1cccc(NC(Nc2ccc(-c3cnco3)c(OC)c2)=NC#N)c1 |w:28.30|
Show InChI InChI=1S/C23H24N6O3/c1-3-4-10-26-22(30)16-6-5-7-17(11-16)28-23(27-14-24)29-18-8-9-19(20(12-18)31-2)21-13-25-15-32-21/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,26,30)(H2,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119127
PNG
(1-{3-[N'-(3-Methoxy-4-oxazol-5-yl-phenyl)-N''-cyan...)
Show SMILES COc1cc(NC(Nc2cccc(CNC(=O)NCC3CCCO3)c2)=NC#N)ccc1-c1cnco1 |w:25.27|
Show InChI InChI=1S/C25H27N7O4/c1-34-22-11-19(7-8-21(22)23-14-27-16-36-23)32-24(30-15-26)31-18-5-2-4-17(10-18)12-28-25(33)29-13-20-6-3-9-35-20/h2,4-5,7-8,10-11,14,16,20H,3,6,9,12-13H2,1H3,(H2,28,29,33)(H2,30,31,32)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119119
PNG
(CHEMBL98740 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2cccc(C)c2)=NC#N)ccc1-c1cnco1 |w:15.16|
Show InChI InChI=1S/C19H17N5O2/c1-13-4-3-5-14(8-13)23-19(22-11-20)24-15-6-7-16(17(9-15)25-2)18-10-21-12-26-18/h3-10,12H,1-2H3,(H2,22,23,24)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119130
PNG
(CHEMBL60730 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2ccccc2)=NC#N)ccc1-c1cnco1 |w:14.15|
Show InChI InChI=1S/C18H15N5O2/c1-24-16-9-14(7-8-15(16)17-10-20-12-25-17)23-18(21-11-19)22-13-5-3-2-4-6-13/h2-10,12H,1H3,(H2,21,22,23)
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119126
PNG
(CHEMBL99625 | N''-cyano-N-[3-(hydroxymethyl)phenyl...)
Show SMILES COc1cc(NC(Nc2cccc(CO)c2)=NC#N)ccc1-c1cnco1 |w:16.17|
Show InChI InChI=1S/C19H17N5O3/c1-26-17-8-15(5-6-16(17)18-9-21-12-27-18)24-19(22-11-20)23-14-4-2-3-13(7-14)10-25/h2-9,12,25H,10H2,1H3,(H2,22,23,24)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119115
PNG
(CHEMBL101822 | N''-cyano-N-[3-methoxy-4-(1,3-oxazo...)
Show SMILES COc1cc(NC(Nc2cccnc2)=NC#N)ccc1-c1cnco1 |w:14.15|
Show InChI InChI=1S/C17H14N6O2/c1-24-15-7-12(4-5-14(15)16-9-20-11-25-16)22-17(21-10-18)23-13-3-2-6-19-8-13/h2-9,11H,1H3,(H2,21,22,23)
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n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119114
PNG
(CHEMBL98393 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(N)=NC#N)ccc1-c1cnco1 |w:8.8|
Show InChI InChI=1S/C12H11N5O2/c1-18-10-4-8(17-12(14)16-6-13)2-3-9(10)11-5-15-7-19-11/h2-5,7H,1H3,(H3,14,16,17)
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n/an/a 330n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119124
PNG
(CHEMBL101463 | {3-[N'-(3-Methoxy-4-oxazol-5-yl-phe...)
Show SMILES COc1cc(NC(Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)=NC#N)ccc1-c1cnco1 |w:24.26|
Show InChI InChI=1S/C24H24N6O5/c1-32-21-10-18(5-6-20(21)22-12-26-15-34-22)30-23(28-14-25)29-17-4-2-3-16(9-17)11-27-24(31)35-19-7-8-33-13-19/h2-6,9-10,12,15,19H,7-8,11,13H2,1H3,(H,27,31)(H2,28,29,30)/t19-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119121
PNG
(CHEMBL98322 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2ccccn2)=NC#N)ccc1-c1cnco1 |w:14.15|
Show InChI InChI=1S/C17H14N6O2/c1-24-14-8-12(5-6-13(14)15-9-19-11-25-15)22-17(21-10-18)23-16-4-2-3-7-20-16/h2-9,11H,1H3,(H2,20,21,22,23)
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119110
PNG
(CHEMBL99278 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(Nc2cccc(OCCOc3ccccc3)c2)=NC#N)ccc1-c1cnco1 |w:24.26|
Show InChI InChI=1S/C26H23N5O4/c1-32-24-15-20(10-11-23(24)25-16-28-18-35-25)31-26(29-17-27)30-19-6-5-9-22(14-19)34-13-12-33-21-7-3-2-4-8-21/h2-11,14-16,18H,12-13H2,1H3,(H2,29,30,31)
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n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119111
PNG
(CHEMBL98904 | N''-methoxy-N-[3-methoxy-4-(1,3-oxaz...)
Show SMILES CONC(Nc1cccc(C)c1)=Nc1ccc(-c2cnco2)c(OC)c1 |w:12.13|
Show InChI InChI=1S/C19H20N4O3/c1-13-5-4-6-14(9-13)21-19(23-25-3)22-15-7-8-16(17(10-15)24-2)18-11-20-12-26-18/h4-12H,1-3H3,(H2,21,22,23)
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n/an/a 660n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119129
PNG
(CHEMBL317497 | ethyl(1E)-[(3-methoxy-4-oxazole-5-y...)
Show SMILES CCOC(=O)N=C(Nc1cccc(C)c1)Nc1ccc(-c2cnco2)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C21H22N4O4/c1-4-28-21(26)25-20(23-15-7-5-6-14(2)10-15)24-16-8-9-17(18(11-16)27-3)19-12-22-13-29-19/h5-13H,4H2,1-3H3,(H2,23,24,25,26)
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n/an/a 740n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119123
PNG
(CHEMBL329714 | N-Benzoyl-N'-(3-methoxy-4-oxazol-5-...)
Show SMILES COc1cc(ccc1-c1cnco1)N=C(N)NC(=O)c1ccccc1 |w:13.14|
Show InChI InChI=1S/C18H16N4O3/c1-24-15-9-13(7-8-14(15)16-10-20-11-25-16)21-18(19)22-17(23)12-5-3-2-4-6-12/h2-11H,1H3,(H3,19,21,22,23)
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119118
PNG
(CHEMBL98225 | N-Acetyl-N'-(3-methoxy-4-oxazol-5-yl...)
Show SMILES COc1cc(ccc1-c1cnco1)N=C(NC(C)=O)Nc1cccc(C)c1 |w:13.14|
Show InChI InChI=1S/C20H20N4O3/c1-13-5-4-6-15(9-13)23-20(22-14(2)25)24-16-7-8-17(18(10-16)26-3)19-11-21-12-27-19/h4-12H,1-3H3,(H2,22,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119125
PNG
(CHEMBL98500 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(NCc2cccc(C)c2)=NC#N)ccc1-c1cnco1 |w:16.17|
Show InChI InChI=1S/C20H19N5O2/c1-14-4-3-5-15(8-14)10-23-20(24-12-21)25-16-6-7-17(18(9-16)26-2)19-11-22-13-27-19/h3-9,11,13H,10H2,1-2H3,(H2,23,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119112
PNG
(CHEMBL98700 | N''-cyano-N-[3-methoxy-4-(1,3-oxazol...)
Show SMILES COc1cc(NC(Nc2ccc(C)cc2)=NC#N)ccc1-c1cnco1 |w:15.16|
Show InChI InChI=1S/C19H17N5O2/c1-13-3-5-14(6-4-13)23-19(22-11-20)24-15-7-8-16(17(9-15)25-2)18-10-21-12-26-18/h3-10,12H,1-2H3,(H2,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119122
PNG
(CHEMBL316946 | N''-cyano-N-[3-methoxy-4-(1,3-oxazo...)
Show SMILES COc1cc(NC(Nc2ccccc2C)=NC#N)ccc1-c1cnco1 |w:15.16|
Show InChI InChI=1S/C19H17N5O2/c1-13-5-3-4-6-16(13)24-19(22-11-20)23-14-7-8-15(17(9-14)25-2)18-10-21-12-26-18/h3-10,12H,1-2H3,(H2,22,23,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119116
PNG
(CHEMBL318413 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CNC(Nc1cccc(C)c1)=Nc1ccc(-c2cnco2)c(OC)c1 |w:11.12|
Show InChI InChI=1S/C19H20N4O2/c1-13-5-4-6-14(9-13)22-19(20-2)23-15-7-8-16(17(10-15)24-3)18-11-21-12-25-18/h4-12H,1-3H3,(H2,20,22,23)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50119117
PNG
(CHEMBL98215 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(ccc1-c1cnco1)N=C(N)Nc1cccc(C)c1 |w:13.14|
Show InChI InChI=1S/C18H18N4O2/c1-12-4-3-5-13(8-12)21-18(19)22-14-6-7-15(16(9-14)23-2)17-10-20-11-24-17/h3-11H,1-2H3,(H3,19,21,22)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for it's in vitro inhibitor potency against inosine monophosphate dehydrogenase II (IMPDH II)

Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%