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Found 796 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' AND taxid = 10090   
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 alpha Mutant (G110A)


(Mus musculus (mouse))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 0.100n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


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


(Mus musculus (mouse))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 0.130n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP Kinase p38 alpha Mutant (G110D)


(Mus musculus (mouse))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 0.140n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437408
PNG
(CHEMBL2408790 | US9023865, 2)
Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1
Show InChI InChI=1S/C26H28FN7O2/c1-16-11-17(8-9-28-16)25-19-13-29-24(12-22(19)32-33-25)31-26(35)30-18-5-4-10-34(14-18)15-20-21(27)6-3-7-23(20)36-2/h3,6-9,11-13,18H,4-5,10,14-15H2,1-2H3,(H,32,33)(H2,29,30,31,35)/t18-/m1/s1
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US Patent
n/an/a 0.152n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157165
PNG
(US9023865, 11)
Show SMILES C[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1
Show InChI InChI=1/C21H19FN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/s2
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US Patent
n/an/a 0.152n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437407
PNG
(CHEMBL2408789 | US9023865, 6)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1
Show InChI InChI=1S/C21H20N6O/c1-13-10-16(8-9-22-13)20-17-12-23-19(11-18(17)26-27-20)25-21(28)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,26,27)(H2,23,24,25,28)/t14-/m1/s1
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n/an/a 0.152n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17060
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C25H21Cl2F2N3O/c26-20-2-1-3-21(27)24(20)32-23-11-15(14-6-8-30-9-7-14)10-18(19(23)13-31-25(32)33)17-5-4-16(28)12-22(17)29/h1-5,10-12,14,30H,6-9,13H2,(H,31,33)
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n/an/a 0.200n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17061
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1...)
Show SMILES CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H27Cl2F2N3O/c1-16(2)34-10-8-17(9-11-34)18-12-21(20-7-6-19(31)14-25(20)32)22-15-33-28(36)35(26(22)13-18)27-23(29)4-3-5-24(27)30/h3-7,12-14,16-17H,8-11,15H2,1-2H3,(H,33,36)
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n/an/a 0.200n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157164
PNG
(US9023865, 10)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NC(CO)c3ccccc3)ncc12
Show InChI InChI=1/C21H20N6O2/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21(29)24-18(12-28)14-5-3-2-4-6-14/h2-11,18,28H,12H2,1H3,(H,26,27)(H2,23,24,25,29)
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n/an/a 0.215n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50437406
PNG
(CHEMBL2408788 | US9023865, 9)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12
Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 0.222n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157173
PNG
(US9023865, 19)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H19ClN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/s2
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n/an/a 0.296n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203329
PNG
(US9242981, 61)
Show SMILES Cn1c(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)cc2ccccc12
Show InChI InChI=1/C27H31N7O/c1-32-22(15-20-5-2-3-7-25(20)32)17-33-13-4-6-21(16-33)29-27(35)34-14-10-24-23(18-34)26(31-30-24)19-8-11-28-12-9-19/h2-3,5,7-9,11-12,15,21H,4,6,10,13-14,16-18H2,1H3,(H,29,35)(H,30,31)/t21-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was added to 14 &#...


US Patent US9242981 (2016)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50421140
PNG
(CHEMBL2088591)
Show SMILES COc1ccc(cc1-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O)-c1nnc(C)o1
Show InChI InChI=1S/C24H16F2N4O4/c1-13-27-28-24(33-13)14-3-6-20(32-2)16(11-14)23-18-5-8-22(29-30(18)10-9-19(23)31)34-21-7-4-15(25)12-17(21)26/h3-12H,1-2H3
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n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157180
PNG
(US9023865, 26)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccc(Cl)cc3)ncc12
Show InChI InChI=1S/C20H17ClN6O/c1-12-8-14(6-7-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-2-4-15(21)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
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US Patent
n/an/a 0.457n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17074
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H28Cl3N7O/c1-33(2)10-11-34-12-14-35(15-13-34)25-31-22(17-6-3-4-7-19(17)27)18-16-30-26(37)36(24(18)32-25)23-20(28)8-5-9-21(23)29/h3-9H,10-16H2,1-2H3,(H,30,37)
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n/an/a 0.5n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17081
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-({8-me...)
Show SMILES CN1C2CCC1CC(C2)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl3N6O/c1-34-15-9-10-16(34)12-14(11-15)31-25-32-22(17-5-2-3-6-19(17)27)18-13-30-26(36)35(24(18)33-25)23-20(28)7-4-8-21(23)29/h2-8,14-16H,9-13H2,1H3,(H,30,36)(H,31,32,33)
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n/an/a 0.5n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203325
PNG
(US9242981, 57)
Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1/C26H28N6OS/c33-26(32-13-9-23-22(16-32)25(30-29-23)18-7-10-27-11-8-18)28-20-4-3-12-31(15-20)14-19-17-34-24-6-2-1-5-21(19)24/h1-2,5-8,10-11,17,20H,3-4,9,12-16H2,(H,28,33)(H,29,30)/t20-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was added to 14 &#...


US Patent US9242981 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157161
PNG
(US9023865, 5)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12
Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28)
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n/an/a 0.502n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157163
PNG
(US9023865, 8)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccc(Cl)c(Cl)c3)ncc12
Show InChI InChI=1S/C20H16Cl2N6O/c1-11-6-13(4-5-23-11)19-14-10-24-18(8-17(14)27-28-19)26-20(29)25-9-12-2-3-15(21)16(22)7-12/h2-8,10H,9H2,1H3,(H,27,28)(H2,24,25,26,29)
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n/an/a 0.516n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157174
PNG
(US9023865, 20)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3=CCOCC3)c2cn1)c1ccccc1
Show InChI InChI=1/C20H21N5O2/c1-13(14-5-3-2-4-6-14)22-20(26)23-18-11-17-16(12-21-18)19(25-24-17)15-7-9-27-10-8-15/h2-7,11-13H,8-10H2,1H3,(H,24,25)(H2,21,22,23,26)/t13-/s2
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n/an/a 0.537n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50421141
PNG
(CHEMBL2088578)
Show SMILES COC(=O)c1ccc(C=C)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O
Show InChI InChI=1S/C24H16F2N2O4/c1-3-14-4-5-15(24(30)31-2)12-17(14)23-19-7-9-22(27-28(19)11-10-20(23)29)32-21-8-6-16(25)13-18(21)26/h3-13H,1H2,2H3
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n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50421137
PNG
(CHEMBL2088588)
Show SMILES COC(=O)c1ccc(OC)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O
Show InChI InChI=1S/C23H16F2N2O5/c1-30-19-6-3-13(23(29)31-2)11-15(19)22-17-5-8-21(26-27(17)10-9-18(22)28)32-20-7-4-14(24)12-16(20)25/h3-12H,1-2H3
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n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50194461
PNG
(7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophen...)
Show SMILES Nc1cc2n(-c3c(F)cccc3F)c(=O)ccc2c(n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H11F4N3O/c21-10-4-5-11(15(24)8-10)19-12-6-7-18(28)27(16(12)9-17(25)26-19)20-13(22)2-1-3-14(20)23/h1-9H,(H2,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38alpha after 3 hrs by SPA method


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50175995
PNG
(CHEMBL199986 | N-(2,4-difluorophenyl)-3-(5-(3-(dim...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN(C)C
Show InChI InChI=1S/C23H20F2N6O/c1-31(2)10-4-5-14-6-9-20(32-3)16(11-14)21-17-13-26-23(28-22(17)30-29-21)27-19-8-7-15(24)12-18(19)25/h6-9,11-13H,10H2,1-3H3,(H2,26,27,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17082
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[1-(p...)
Show SMILES CC(C)N1CCC(CC1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H27Cl3N6O/c1-15(2)34-12-10-16(11-13-34)31-25-32-22(17-6-3-4-7-19(17)27)18-14-30-26(36)35(24(18)33-25)23-20(28)8-5-9-21(23)29/h3-9,15-16H,10-14H2,1-2H3,(H,30,36)(H,31,32,33)
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n/an/a 0.600n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154612
PNG
(US8999957, Column 165-167, Compound 1)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NOCC1CC1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C32H35FN6O4/c1-19-14-21(12-13-34-19)30-24-15-22(8-10-27(24)36-37-30)31(40)35-23-9-11-28(32(41)38-43-18-20-6-7-20)39(16-23)17-25-26(33)4-3-5-29(25)42-2/h3-5,8,10,12-15,20,23,28H,6-7,9,11,16-18H2,1-2H3,(H,35,40)(H,36,37)(H,38,41)/t23-,28+/s2
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US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203319
PNG
(US9242981, 48)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1/C24H27FN6O/c25-21-6-2-1-4-18(21)14-30-12-3-5-19(15-30)27-24(32)31-13-9-22-20(16-31)23(29-28-22)17-7-10-26-11-8-17/h1-2,4,6-8,10-11,19H,3,5,9,12-16H2,(H,27,32)(H,28,29)/t19-/s2
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n/an/a 0.650n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was added to 14 &#...


US Patent US9242981 (2016)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17083
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,...)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H29Cl3N6O/c1-26(2)12-15(13-27(3,4)35-26)32-24-33-21(16-8-5-6-9-18(16)28)17-14-31-25(37)36(23(17)34-24)22-19(29)10-7-11-20(22)30/h5-11,15,35H,12-14H2,1-4H3,(H,31,37)(H,32,33,34)
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n/an/a 0.700n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50176013
PNG
(3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]p...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NC1CCOCC1
Show InChI InChI=1S/C25H23F2N5O3/c1-34-21-6-2-14(25(33)28-16-8-10-35-11-9-16)12-18(21)23-17-4-7-22(30-24(17)32-31-23)29-20-5-3-15(26)13-19(20)27/h2-7,12-13,16H,8-11H2,1H3,(H,28,33)(H2,29,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM15242
PNG
(1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...)
Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
Show InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2
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n/an/a 0.740n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a 0.800n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...


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


(Mus musculus (mouse))
BDBM17068
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2-...)
Show SMILES CC(C)(C)CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H22Cl3N5O/c1-23(2,3)12-28-21-29-18(13-7-4-5-8-15(13)24)14-11-27-22(32)31(20(14)30-21)19-16(25)9-6-10-17(19)26/h4-10H,11-12H2,1-3H3,(H,27,32)(H,28,29,30)
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n/an/a 0.800n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203317
PNG
(US9242981, 46)
Show SMILES CN1C[C@@H](NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)[C@@H](C1)c1ccccc1C
Show InChI InChI=1/C24H28N6O/c1-16-5-3-4-6-18(16)19-13-29(2)15-22(19)26-24(31)30-12-9-21-20(14-30)23(28-27-21)17-7-10-25-11-8-17/h3-8,10-11,19,22H,9,12-15H2,1-2H3,(H,26,31)(H,27,28)/t19-,22+/s2
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n/an/a 0.890n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was added to 14 &#...


US Patent US9242981 (2016)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50176003
PNG
(CHEMBL199993 | N-(2,4-difluorophenyl)-3-(2-methoxy...)
Show SMILES COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CCN1CCN(C)CC1
Show InChI InChI=1S/C26H25F2N7O/c1-34-10-12-35(13-11-34)9-3-4-17-5-8-23(36-2)19(14-17)24-20-16-29-26(31-25(20)33-32-24)30-22-7-6-18(27)15-21(22)28/h5-8,14-16H,9-13H2,1-2H3,(H2,29,30,31,32,33)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against murine p38alpha MAPK


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157176
PNG
(US9023865, 22)
Show SMILES CCCc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
Show InChI InChI=1/C18H21N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t12-/s2
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n/an/a 0.919n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17075
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H27Cl4N7O/c1-34(2)8-9-35-10-12-36(13-11-35)25-32-22(17-7-6-16(27)14-21(17)30)18-15-31-26(38)37(24(18)33-25)23-19(28)4-3-5-20(23)29/h3-7,14H,8-13,15H2,1-2H3,(H,31,38)
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n/an/a 1n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase


Bioorg Med Chem Lett 13: 347-50 (2003)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154874
PNG
(US8999957, Table 3, Compound 147)
Show SMILES CNC(=S)NNC(=O)[C@@H]1CC[C@H](CN1Cc1c(F)cccc1OC)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C30H33FN8O3S/c1-17-13-18(11-12-33-17)27-21-14-19(7-9-24(21)35-36-27)28(40)34-20-8-10-25(29(41)37-38-30(43)32-2)39(15-20)16-22-23(31)5-4-6-26(22)42-3/h4-7,9,11-14,20,25H,8,10,15-16H2,1-3H3,(H,34,40)(H,35,36)(H,37,41)(H2,32,38,43)/t20-,25+/s2
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was a...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17056
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methox...)
Show SMILES COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H15Cl3N2O2/c1-28-12-9-14(13-5-2-3-6-16(13)22)15-11-25-21(27)26(19(15)10-12)20-17(23)7-4-8-18(20)24/h2-10H,11H2,1H3,(H,25,27)
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n/an/a 1n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154864
PNG
(US8999957, Table 3, Compound 137)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NN)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C28H30FN7O3/c1-16-12-17(10-11-31-16)26-20-13-18(6-8-23(20)34-35-26)27(37)32-19-7-9-24(28(38)33-30)36(14-19)15-21-22(29)4-3-5-25(21)39-2/h3-6,8,10-13,19,24H,7,9,14-15,30H2,1-2H3,(H,32,37)(H,33,38)(H,34,35)/t19-,24+/s2
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was a...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154863
PNG
(US8999957, Table 3, Compound 136)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(N)=O)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C28H29FN6O3/c1-16-12-17(10-11-31-16)26-20-13-18(6-8-23(20)33-34-26)28(37)32-19-7-9-24(27(30)36)35(14-19)15-21-22(29)4-3-5-25(21)38-2/h3-6,8,10-13,19,24H,7,9,14-15H2,1-2H3,(H2,30,36)(H,32,37)(H,33,34)/t19-,24+/s2
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was a...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17067
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(propa...)
Show SMILES CC(C)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H18Cl3N5O/c1-11(2)26-20-27-17(12-6-3-4-7-14(12)22)13-10-25-21(30)29(19(13)28-20)18-15(23)8-5-9-16(18)24/h3-9,11H,10H2,1-2H3,(H,25,30)(H,26,27,28)
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n/an/a 1.10n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154613
PNG
(US8999957, Column 165-167, Compound 2)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)N1CC(C)(O)C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C32H35FN6O4/c1-19-13-20(11-12-34-19)29-23-14-21(7-9-26(23)36-37-29)30(40)35-22-8-10-27(31(41)39-17-32(2,42)18-39)38(15-22)16-24-25(33)5-4-6-28(24)43-3/h4-7,9,11-14,22,27,42H,8,10,15-18H2,1-3H3,(H,35,40)(H,36,37)/t22-,27+/s2
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each comp...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157160
PNG
(US9023865, 4)
Show SMILES COc1cccc(F)c1CN1CCCC(C1)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1
Show InChI InChI=1/C26H28FN7O2/c1-16-11-17(8-9-28-16)25-19-13-29-24(12-22(19)32-33-25)31-26(35)30-18-5-4-10-34(14-18)15-20-21(27)6-3-7-23(20)36-2/h3,6-9,11-13,18H,4-5,10,14-15H2,1-2H3,(H,32,33)(H2,29,30,31,35)
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n/an/a 1.12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM203308
PNG
(US9242981, 37)
Show SMILES O=C(N[C@H]1CNC[C@@H]1c1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1/C22H24N6O/c29-22(25-20-13-24-12-17(20)15-4-2-1-3-5-15)28-11-8-19-18(14-28)21(27-26-19)16-6-9-23-10-7-16/h1-7,9-10,17,20,24H,8,11-14H2,(H,25,29)(H,26,27)/t17-,20+/s2
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n/an/a 1.16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was added to 14 &#...


US Patent US9242981 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM157168
PNG
(US9023865, 14)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3cccnc3)ncc12
Show InChI InChI=1S/C19H17N7O/c1-12-7-14(4-6-21-12)18-15-11-22-17(8-16(15)25-26-18)24-19(27)23-10-13-3-2-5-20-9-13/h2-9,11H,10H2,1H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 1.16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9023865 (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17080
PNG
(7-{1-azabicyclo[2.2.2]octan-3-ylamino}-5-(2-chloro...)
Show SMILES Clc1ccccc1-c1nc(NC2CN3CCC2CC3)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H23Cl3N6O/c26-17-5-2-1-4-15(17)21-16-12-29-25(35)34(22-18(27)6-3-7-19(22)28)23(16)32-24(31-21)30-20-13-33-10-8-14(20)9-11-33/h1-7,14,20H,8-13H2,(H,29,35)(H,30,31,32)
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n/an/a 1.20n/an/an/an/a7.030



Merck Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...


Citation and Details
More data for this
Ligand-Target Pair
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