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Compile Data Set for Download or QSAR

Found 47 hits of ec50 data for polymerid = 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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair