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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50013715   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133731
PNG
(CHEMBL118988 | {3-[3-(4-Cyano-3-methoxy-phenyl)-ur...)
Show SMILES CC[C@H](CC#N)OC(=O)NCc1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C22H23N5O4/c1-3-19(9-10-23)31-22(29)25-14-15-5-4-6-17(11-15)26-21(28)27-18-8-7-16(13-24)20(12-18)30-2/h4-8,11-12,19H,3,9,14H2,1-2H3,(H,25,29)(H2,26,27,28)/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50102249
PNG
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
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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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50113224
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-oxazol-...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
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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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133728
PNG
(1-Methyl-6-(5-phenyl-oxazol-2-ylamino)-1H-indole-3...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3)cc12
Show InChI InChI=1S/C19H14N4O/c1-23-12-14(10-20)16-8-7-15(9-17(16)23)22-19-21-11-18(24-19)13-5-3-2-4-6-13/h2-9,11-12H,1H3,(H,21,22)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133725
PNG
(CHEMBL119408 | Naphthalene-2-carboxylic acid 3-[2-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)c4ccc5ccccc5c4)c3)cc12
Show InChI InChI=1S/C31H23N5O2/c1-36-19-25(16-32)27-12-11-26(15-28(27)36)35-31-34-18-29(38-31)23-8-4-5-20(13-23)17-33-30(37)24-10-9-21-6-2-3-7-22(21)14-24/h2-15,18-19H,17H2,1H3,(H,33,37)(H,34,35)
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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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133710
PNG
(CHEMBL118714 | Naphthalene-1-carboxylic acid 3-[2-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)c4cccc5ccccc45)c3)cc12
Show InChI InChI=1S/C31H23N5O2/c1-36-19-23(16-32)26-13-12-24(15-28(26)36)35-31-34-18-29(38-31)22-9-4-6-20(14-22)17-33-30(37)27-11-5-8-21-7-2-3-10-25(21)27/h2-15,18-19H,17H2,1H3,(H,33,37)(H,34,35)
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133736
PNG
(CHEMBL119208 | N-{4-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES CC(=O)NCc1ccc(cc1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C22H19N5O2/c1-14(28)24-11-15-3-5-16(6-4-15)21-12-25-22(29-21)26-18-7-8-19-17(10-23)13-27(2)20(19)9-18/h3-9,12-13H,11H2,1-2H3,(H,24,28)(H,25,26)
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n/an/a 94n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133718
PNG
(CHEMBL119655 | N-{4-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccc(CNC(=O)c4ccccc4)cc3)cc12
Show InChI InChI=1S/C27H21N5O2/c1-32-17-21(14-28)23-12-11-22(13-24(23)32)31-27-30-16-25(34-27)19-9-7-18(8-10-19)15-29-26(33)20-5-3-2-4-6-20/h2-13,16-17H,15H2,1H3,(H,29,33)(H,30,31)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133711
PNG
(CHEMBL333901 | N-{3-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)c4ccccc4)c3)cc12
Show InChI InChI=1S/C27H21N5O2/c1-32-17-21(14-28)23-11-10-22(13-24(23)32)31-27-30-16-25(34-27)20-9-5-6-18(12-20)15-29-26(33)19-7-3-2-4-8-19/h2-13,16-17H,15H2,1H3,(H,29,33)(H,30,31)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133724
PNG
(CHEMBL119407 | N-{4-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccc(CNC(=O)C(C)(C)C)cc3)cc12
Show InChI InChI=1S/C25H25N5O2/c1-25(2,3)23(31)27-13-16-5-7-17(8-6-16)22-14-28-24(32-22)29-19-9-10-20-18(12-26)15-30(4)21(20)11-19/h5-11,14-15H,13H2,1-4H3,(H,27,31)(H,28,29)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133723
PNG
(6-[5-(3-Aminomethyl-phenyl)-oxazol-2-ylamino]-1-me...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CN)c3)cc12
Show InChI InChI=1S/C20H17N5O/c1-25-12-15(10-22)17-6-5-16(8-18(17)25)24-20-23-11-19(26-20)14-4-2-3-13(7-14)9-21/h2-8,11-12H,9,21H2,1H3,(H,23,24)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133714
PNG
(CHEMBL327031 | N-{3-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(NC(=O)c4ccccc4)c3)cc12
Show InChI InChI=1S/C26H19N5O2/c1-31-16-19(14-27)22-11-10-21(13-23(22)31)30-26-28-15-24(33-26)18-8-5-9-20(12-18)29-25(32)17-6-3-2-4-7-17/h2-13,15-16H,1H3,(H,28,30)(H,29,32)
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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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133716
PNG
(CHEMBL118115 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES CN(C)CCOC(=O)NCc1cccc(c1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C25H26N6O3/c1-30(2)9-10-33-25(32)28-14-17-5-4-6-18(11-17)23-15-27-24(34-23)29-20-7-8-21-19(13-26)16-31(3)22(21)12-20/h4-8,11-12,15-16H,9-10,14H2,1-3H3,(H,27,29)(H,28,32)
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133734
PNG
(1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-p-tolyl-urea ...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(cn(C)c3c2)C#N)cc1
Show InChI InChI=1S/C18H16N4O/c1-12-3-5-14(6-4-12)20-18(23)21-15-7-8-16-13(10-19)11-22(2)17(16)9-15/h3-9,11H,1-2H3,(H2,20,21,23)
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n/an/a 230n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133720
PNG
(CHEMBL118260 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)OCCC#N)c3)cc12
Show InChI InChI=1S/C24H20N6O3/c1-30-15-18(12-26)20-7-6-19(11-21(20)30)29-23-27-14-22(33-23)17-5-2-4-16(10-17)13-28-24(31)32-9-3-8-25/h2,4-7,10-11,14-15H,3,9,13H2,1H3,(H,27,29)(H,28,31)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133712
PNG
(CHEMBL333662 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)OC4CCOC4)c3)cc12
Show InChI InChI=1S/C25H23N5O4/c1-30-14-18(11-26)21-6-5-19(10-22(21)30)29-24-27-13-23(34-24)17-4-2-3-16(9-17)12-28-25(31)33-20-7-8-32-15-20/h2-6,9-10,13-14,20H,7-8,12,15H2,1H3,(H,27,29)(H,28,31)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133726
PNG
(6-[5-(4-Aminomethyl-phenyl)-oxazol-2-ylamino]-1-me...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccc(CN)cc3)cc12
Show InChI InChI=1S/C20H17N5O/c1-25-12-15(10-22)17-7-6-16(8-18(17)25)24-20-23-11-19(26-20)14-4-2-13(9-21)3-5-14/h2-8,11-12H,9,21H2,1H3,(H,23,24)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133730
PNG
(Acetic acid ({2-[2-(3-cyano-1-methyl-1H-indol-6-yl...)
Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C24H21N5O4/c1-15(30)32-14-23(31)29(3)20-7-5-4-6-19(20)22-12-26-24(33-22)27-17-8-9-18-16(11-25)13-28(2)21(18)10-17/h4-10,12-13H,14H2,1-3H3,(H,26,27)
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n/an/a 266n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133719
PNG
(6-[5-(2-Aminomethyl-phenyl)-oxazol-2-ylamino]-1-me...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3CN)cc12
Show InChI InChI=1S/C20H17N5O/c1-25-12-14(10-22)16-7-6-15(8-18(16)25)24-20-23-11-19(26-20)17-5-3-2-4-13(17)9-21/h2-8,11-12H,9,21H2,1H3,(H,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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133729
PNG
(1-(4-Cyano-3-methoxy-phenyl)-3-m-tolyl-urea | CHEM...)
Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1C#N
Show InChI InChI=1S/C16H15N3O2/c1-11-4-3-5-13(8-11)18-16(20)19-14-7-6-12(10-17)15(9-14)21-2/h3-9H,1-2H3,(H2,18,19,20)
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n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133732
PNG
(2-Methoxy-4-(5-phenyl-oxazol-2-ylamino)-benzonitri...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1C#N
Show InChI InChI=1S/C17H13N3O2/c1-21-15-9-14(8-7-13(15)10-18)20-17-19-11-16(22-17)12-5-3-2-4-6-12/h2-9,11H,1H3,(H,19,20)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133722
PNG
(CHEMBL118983 | {2-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3CNC(=O)OCCC#N)cc12
Show InChI InChI=1S/C24H20N6O3/c1-30-15-17(12-26)19-8-7-18(11-21(19)30)29-23-27-14-22(33-23)20-6-3-2-5-16(20)13-28-24(31)32-10-4-9-25/h2-3,5-8,11,14-15H,4,10,13H2,1H3,(H,27,29)(H,28,31)
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n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133717
PNG
(CHEMBL118384 | {2-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3CNC(=O)OC3CCOC3)cc12
Show InChI InChI=1S/C25H23N5O4/c1-30-14-17(11-26)20-7-6-18(10-22(20)30)29-24-27-13-23(34-24)21-5-3-2-4-16(21)12-28-25(31)33-19-8-9-32-15-19/h2-7,10,13-14,19H,8-9,12,15H2,1H3,(H,27,29)(H,28,31)
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n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133735
PNG
(1-Methyl-6-(5-o-tolyl-oxazol-2-ylamino)-1H-indole-...)
Show SMILES Cc1ccccc1-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C20H16N4O/c1-13-5-3-4-6-16(13)19-11-22-20(25-19)23-15-7-8-17-14(10-21)12-24(2)18(17)9-15/h3-9,11-12H,1-2H3,(H,22,23)
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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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133733
PNG
(1-Methyl-6-(5-m-tolyl-oxazol-2-ylamino)-1H-indole-...)
Show SMILES Cc1cccc(c1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C20H16N4O/c1-13-4-3-5-14(8-13)19-11-22-20(25-19)23-16-6-7-17-15(10-21)12-24(2)18(17)9-16/h3-9,11-12H,1-2H3,(H,22,23)
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n/an/a 490n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133721
PNG
(1-Methyl-6-(5-p-tolyl-oxazol-2-ylamino)-1H-indole-...)
Show SMILES Cc1ccc(cc1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C20H16N4O/c1-13-3-5-14(6-4-13)19-11-22-20(25-19)23-16-7-8-17-15(10-21)12-24(2)18(17)9-16/h3-9,11-12H,1-2H3,(H,22,23)
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n/an/a>550n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133727
PNG
(1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-phenyl-urea |...)
Show SMILES Cn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
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n/an/a 630n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133715
PNG
(1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-m-tolyl-urea ...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3c(cn(C)c3c2)C#N)c1
Show InChI InChI=1S/C18H16N4O/c1-12-4-3-5-14(8-12)20-18(23)21-15-6-7-16-13(10-19)11-22(2)17(16)9-15/h3-9,11H,1-2H3,(H2,20,21,23)
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n/an/a 670n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133737
PNG
(1-(3-Cyano-1H-indol-6-yl)-3-p-tolyl-urea | CHEMBL1...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)C#N)cc1
Show InChI InChI=1S/C17H14N4O/c1-11-2-4-13(5-3-11)20-17(22)21-14-6-7-15-12(9-18)10-19-16(15)8-14/h2-8,10,19H,1H3,(H2,20,21,22)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133713
PNG
(1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-o-tolyl-urea ...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc2c(cn(C)c2c1)C#N
Show InChI InChI=1S/C18H16N4O/c1-12-5-3-4-6-16(12)21-18(23)20-14-7-8-15-13(10-19)11-22(2)17(15)9-14/h3-9,11H,1-2H3,(H2,20,21,23)
PDB
MMDB

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n/an/a>1.00E+7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair