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Compile Data Set for Download or QSAR

Found 47 hits of ec50 data for polymerid = 1595,1630,1631,3881   
Target
(Institution)
LigandTarget
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
MAP kinase p38


(Homo sapiens (human))
BDBM20652
PNG
(N-[(2S)-butan-2-yl]-4-{[5-(methoxycarbamoyl)-2-met...)
Show SMILES CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C21H26N6O3/c1-6-13(3)24-21(29)16-10-27-18(14(16)4)19(22-11-23-27)25-17-9-15(8-7-12(17)2)20(28)26-30-5/h7-11,13H,6H2,1-5H3,(H,24,29)(H,26,28)(H,22,23,25)/t13-/m0/s1
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n/an/a 3n/a<2n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20656
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
Show InChI InChI=1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 1.20n/a 2.40n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM36476
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C34H34N8O5/c1-34(2)46-18-23-15-20(10-13-28(23)47-34)16-25(29(43)35-3)37-31-38-32(40-33(45)39-31)42-19-36-24-12-11-22(17-27(24)42)30(44)41-14-6-8-21-7-4-5-9-26(21)41/h4-5,7,9-13,15,17,19,25H,6,8,14,16,18H2,1-3H3,(H,35,43)(H2,37,38,39,40,45)/t25-/m0/s1
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n/an/an/an/a<7n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM36474
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1
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n/an/an/an/a<8n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (human))
BDBM20655
PNG
(N-benzyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C24H24N6O3/c1-15-9-10-18(23(31)29-33-3)11-20(15)28-22-21-16(2)19(13-30(21)27-14-26-22)24(32)25-12-17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 0.400n/a 9.60n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20657
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
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n/an/a 2.20n/a 10n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (human))
BDBM20665
PNG
(ethyl N-(4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CCOC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O4/c1-5-29-19(27)23-15-9-25-16(12(15)3)17(20-10-21-25)22-14-8-13(7-6-11(14)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,23,27)(H,24,26)(H,20,21,22)
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n/an/a 1.5n/a 26n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20650
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 0.900n/a 30n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20645
PNG
(ethyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amin...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H21N5O4/c1-5-28-19(26)14-9-24-16(12(14)3)17(20-10-21-24)22-15-8-13(7-6-11(15)2)18(25)23-27-4/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
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n/an/a 0.900n/a 37n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20651
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H24N6O3/c1-11(2)23-20(28)15-9-26-17(13(15)4)18(21-10-22-26)24-16-8-14(7-6-12(16)3)19(27)25-29-5/h6-11H,1-5H3,(H,23,28)(H,25,27)(H,21,22,24)
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n/an/a 10n/a 41n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20654
PNG
(N-cyclopentyl-4-{[5-(methoxycarbamoyl)-2-methylphe...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC4CCCC4)c(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-13-8-9-15(21(29)27-31-3)10-18(13)26-20-19-14(2)17(11-28(19)24-12-23-20)22(30)25-16-6-4-5-7-16/h8-12,16H,4-7H2,1-3H3,(H,25,30)(H,27,29)(H,23,24,26)
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n/an/a 8n/a 43n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20671
PNG
(4-{[5-(2-methoxyacetamido)-2-methylphenyl]amino}-5...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)COC)ccc3C)c2c1C
Show InChI InChI=1S/C21H26N6O3/c1-5-8-22-21(29)16-10-27-19(14(16)3)20(23-12-24-27)26-17-9-15(7-6-13(17)2)25-18(28)11-30-4/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,22,29)(H,25,28)(H,23,24,26)
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n/an/a 20n/a 43n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20675
PNG
(ethyl N-[3-({6-[(2S)-butan-2-ylcarbamoyl]-5-methyl...)
Show SMILES CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)CC)c(C)c23)c1
Show InChI InChI=1S/C22H28N6O3/c1-6-14(4)25-21(29)17-11-28-19(15(17)5)20(23-12-24-28)27-18-10-16(9-8-13(18)3)26-22(30)31-7-2/h8-12,14H,6-7H2,1-5H3,(H,25,29)(H,26,30)(H,23,24,27)/t14-/m0/s1
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n/an/a 5.60n/a 47n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20649
PNG
(N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]am...)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)
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n/an/a 3.10n/a 61n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (human))
BDBM20668
PNG
(ethyl N-(4-methyl-3-{[5-methyl-6-(propylcarbamoyl)...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
Show InChI InChI=1S/C21H26N6O3/c1-5-9-22-20(28)16-11-27-18(14(16)4)19(23-12-24-27)26-17-10-15(8-7-13(17)3)25-21(29)30-6-2/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,28)(H,25,29)(H,23,24,26)
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n/an/a 5.5n/a 69n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20659
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCCN4CCOCC4)c(C)c23)c1
Show InChI InChI=1S/C23H29N7O4/c1-15-4-5-17(22(31)28-33-3)12-19(15)27-21-20-16(2)18(13-30(20)26-14-25-21)23(32)24-6-7-29-8-10-34-11-9-29/h4-5,12-14H,6-11H2,1-3H3,(H,24,32)(H,28,31)(H,25,26,27)
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n/an/a 8n/a 72n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20673
PNG
(ethyl N-(3-{[6-(ethylcarbamoyl)-5-methylpyrrolo[1,...)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
Show InChI InChI=1S/C20H24N6O3/c1-5-21-19(27)15-10-26-17(13(15)4)18(22-11-23-26)25-16-9-14(8-7-12(16)3)24-20(28)29-6-2/h7-11H,5-6H2,1-4H3,(H,21,27)(H,24,28)(H,22,23,25)
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n/an/a 4.70n/a 72n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20664
PNG
(methyl N-(4-{[5-(methoxycarbamoyl)-2-methylphenyl]...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C18H20N6O4/c1-10-5-6-12(17(25)23-28-4)7-13(10)21-16-15-11(2)14(22-18(26)27-3)8-24(15)20-9-19-16/h5-9H,1-4H3,(H,22,26)(H,23,25)(H,19,20,21)
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n/an/a 3.30n/a 100n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20666
PNG
(propan-2-yl N-(4-{[5-(methoxycarbamoyl)-2-methylph...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H24N6O4/c1-11(2)30-20(28)24-16-9-26-17(13(16)4)18(21-10-22-26)23-15-8-14(7-6-12(15)3)19(27)25-29-5/h6-11H,1-5H3,(H,24,28)(H,25,27)(H,21,22,23)
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n/an/a 1.20n/a 110n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20674
PNG
(ethyl N-(4-methyl-3-{[5-methyl-6-(propan-2-ylcarba...)
Show SMILES CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
Show InChI InChI=1S/C21H26N6O3/c1-6-30-21(29)25-15-8-7-13(4)17(9-15)26-19-18-14(5)16(20(28)24-12(2)3)10-27(18)23-11-22-19/h7-12H,6H2,1-5H3,(H,24,28)(H,25,29)(H,22,23,26)
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n/an/a 7.70n/a 110n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20662
PNG
(N-methoxy-4-methyl-3-{[5-methyl-6-(2-methylpropana...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)C(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H24N6O3/c1-11(2)19(27)24-16-9-26-17(13(16)4)18(21-10-22-26)23-15-8-14(7-6-12(15)3)20(28)25-29-5/h6-11H,1-5H3,(H,24,27)(H,25,28)(H,21,22,23)
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n/an/a 13n/a 120n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20653
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-N-(...)
Show SMILES COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O4/c1-12-5-6-14(19(27)25-30-4)9-16(12)24-18-17-13(2)15(10-26(17)23-11-22-18)20(28)21-7-8-29-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 2.20n/a 140n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20667
PNG
(methyl N-(4-methyl-3-{[5-methyl-6-(propylcarbamoyl...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC)ccc3C)c2c1C
Show InChI InChI=1S/C20H24N6O3/c1-5-8-21-19(27)15-10-26-17(13(15)3)18(22-11-23-26)25-16-9-14(7-6-12(16)2)24-20(28)29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,27)(H,24,28)(H,22,23,25)
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n/an/a 15n/a 150n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20640
PNG
(methyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C18H19N5O4/c1-10-5-6-12(17(24)22-27-4)7-14(10)21-16-15-11(2)13(18(25)26-3)8-23(15)20-9-19-16/h5-9H,1-4H3,(H,22,24)(H,19,20,21)
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n/an/a 1.10n/a 160n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20660
PNG
(3-({6-acetamido-5-methylpyrrolo[1,2-a][1,2,4]triaz...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(C)=O)c(C)c23)c1
Show InChI InChI=1S/C18H20N6O3/c1-10-5-6-13(18(26)23-27-4)7-14(10)22-17-16-11(2)15(21-12(3)25)8-24(16)20-9-19-17/h5-9H,1-4H3,(H,21,25)(H,23,26)(H,19,20,22)
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n/an/a 3.60n/a 190n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM36472
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(NCC(C)C)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C38H43N9O4/c1-23(2)20-40-35-43-36(42-29(33(48)39-5)18-24-12-15-32-27(17-24)21-50-38(3,4)51-32)45-37(44-35)47-22-41-28-19-26(13-14-31(28)47)34(49)46-16-8-10-25-9-6-7-11-30(25)46/h6-7,9,11-15,17,19,22-23,29H,8,10,16,18,20-21H2,1-5H3,(H,39,48)(H2,40,42,43,44,45)/t29-/m0/s1
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n/an/an/an/a 250n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20643
PNG
(methyl 4-{[5-(ethoxycarbamoyl)-2-methylphenyl]amin...)
Show SMILES CCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C19H21N5O4/c1-5-28-23-18(25)13-7-6-11(2)15(8-13)22-17-16-12(3)14(19(26)27-4)9-24(16)21-10-20-17/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
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n/an/a 4n/a 380n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20661
PNG
(N-methoxy-4-methyl-3-({5-methyl-6-propanamidopyrro...)
Show SMILES CCC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O3/c1-5-16(26)22-15-9-25-17(12(15)3)18(20-10-21-25)23-14-8-13(7-6-11(14)2)19(27)24-28-4/h6-10H,5H2,1-4H3,(H,22,26)(H,24,27)(H,20,21,23)
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n/an/a 13n/a 530n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20648
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-N,5...)
Show SMILES CNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C18H20N6O3/c1-10-5-6-12(17(25)23-27-4)7-14(10)22-16-15-11(2)13(18(26)19-3)8-24(15)21-9-20-16/h5-9H,1-4H3,(H,19,26)(H,23,25)(H,20,21,22)
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n/an/a 23n/a 580n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20658
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@H](C)c4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m1/s1
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n/an/a 180n/a>1.00E+3n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20641
PNG
(methyl 4-[(5-carbamoyl-2-methylphenyl)amino]-5-met...)
Show SMILES COC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(N)=O)c2c1C
Show InChI InChI=1S/C17H17N5O3/c1-9-4-5-11(15(18)23)6-13(9)21-16-14-10(2)12(17(24)25-3)7-22(14)20-8-19-16/h4-8H,1-3H3,(H2,18,23)(H,19,20,21)
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n/an/a 78n/a>2.00E+3n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20644
PNG
(methyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(cc23)C(=O)OC)c1
Show InChI InChI=1S/C17H17N5O4/c1-10-4-5-11(16(23)21-26-3)6-13(10)20-15-14-7-12(17(24)25-2)8-22(14)19-9-18-15/h4-9H,1-3H3,(H,21,23)(H,18,19,20)
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n/an/a 42n/a>2.00E+3n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20663
PNG
(N-methoxy-4-methyl-3-({5-methyl-6-[(propan-2-ylcar...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)NC(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H25N7O3/c1-11(2)23-20(29)25-16-9-27-17(13(16)4)18(21-10-22-27)24-15-8-14(7-6-12(15)3)19(28)26-30-5/h6-11H,1-5H3,(H,26,28)(H,21,22,24)(H2,23,25,29)
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n/an/a 12n/a>2.00E+3n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM36473
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-19-24(13-14-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1
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n/an/an/an/a 2.70E+3n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM20639
PNG
(methyl 5-methyl-4-{[2-methyl-5-(methylcarbamoyl)ph...)
Show SMILES CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C18H19N5O3/c1-10-5-6-12(17(24)19-3)7-14(10)22-16-15-11(2)13(18(25)26-4)8-23(15)21-9-20-16/h5-9H,1-4H3,(H,19,24)(H,20,21,22)
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n/an/a 220n/a>5.00E+3n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM36475
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C34H34N8O5/c1-34(2)46-18-23-15-20(10-13-28(23)47-34)16-25(29(43)35-3)37-31-38-32(40-33(45)39-31)42-19-36-24-17-22(11-12-27(24)42)30(44)41-14-6-8-21-7-4-5-9-26(21)41/h4-5,7,9-13,15,17,19,25H,6,8,14,16,18H2,1-3H3,(H,35,43)(H2,37,38,39,40,45)/t25-/m0/s1
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n/an/an/an/a 5.20E+3n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255909
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.35E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.42E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255179
PNG
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255960
PNG
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255228
PNG
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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n/an/an/an/a 2.81E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255958
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methyls...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 4.12E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255908
PNG
(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-flu...)
Show SMILES Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCOCC1
Show InChI InChI=1S/C19H18FN7O/c1-12-14(20)3-4-15(23-12)18-17(13-2-5-16-21-11-22-27(16)10-13)24-19(25-18)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,25)
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n/an/an/an/a 4.63E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50255227
PNG
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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n/an/an/an/a 5.78E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)

More data for this
Ligand-Target Pair