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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 1977   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15744
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2
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n/an/a 180n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15749
PNG
(1-[2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCC2(O)CCCC2)c1
Show InChI InChI=1S/C23H24FN3O2/c24-18-6-8-19(9-7-18)27-22(25)20(15-26-27)21(28)17-5-3-4-16(14-17)10-13-23(29)11-1-2-12-23/h3-9,14-15,29H,1-2,10-13,25H2
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n/an/a 230n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15743
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C21H14F2N4O/c22-16-4-5-19(18(23)11-16)27-21(24)17(12-26-27)20(28)15-3-1-2-14(10-15)13-6-8-25-9-7-13/h1-12H,24H2
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n/an/a 310n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15745
PNG
(1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yloxy)phen...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(Oc2cccnc2)c1
Show InChI InChI=1S/C21H14F2N4O2/c22-14-6-7-19(18(23)10-14)27-21(24)17(12-26-27)20(28)13-3-1-4-15(9-13)29-16-5-2-8-25-11-16/h1-12H,24H2
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n/an/a 340n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15750
PNG
(4-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES CC(C)(O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN3O2/c1-21(2,27)11-10-14-4-3-5-15(12-14)19(26)18-13-24-25(20(18)23)17-8-6-16(22)7-9-17/h3-9,12-13,27H,10-11,23H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15754
PNG
((2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15740
PNG
(1-(4-fluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H15FN4O/c22-17-6-8-18(9-7-17)26-21(23)19(13-25-26)20(27)15-4-1-3-14(11-15)16-5-2-10-24-12-16/h1-13H,23H2
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n/an/a 780n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15748
PNG
(1-(4-fluorophenyl)-4-{[3-(2-methanesulfonylethyl)p...)
Show SMILES CS(=O)(=O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O3S/c1-27(25,26)10-9-13-3-2-4-14(11-13)18(24)17-12-22-23(19(17)21)16-7-5-15(20)6-8-16/h2-8,11-12H,9-10,21H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15746
PNG
(2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCO)c1
Show InChI InChI=1S/C18H16FN3O2/c19-14-4-6-15(7-5-14)22-18(20)16(11-21-22)17(24)13-3-1-2-12(10-13)8-9-23/h1-7,10-11,23H,8-9,20H2
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n/an/a 850n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15741
PNG
(1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H15FN4O/c22-17-7-9-18(10-8-17)26-21(23)19(13-25-26)20(27)15-5-3-14(4-6-15)16-2-1-11-24-12-16/h1-13H,23H2
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n/an/a 980n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15718
PNG
((5-Amino-1-O-tolyl-1H-pyrazol-4-yl)phenylmethanone...)
Show SMILES Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C17H15N3O/c1-12-7-5-6-10-15(12)20-17(18)14(11-19-20)16(21)13-8-3-2-4-9-13/h2-11H,18H2,1H3
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n/an/a 1.08E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15720
PNG
(4-benzoyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine | ...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H12FN3O/c17-12-6-8-13(9-7-12)20-16(18)14(10-19-20)15(21)11-4-2-1-3-5-11/h1-10H,18H2
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n/an/a 1.10E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15753
PNG
((2R)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15747
PNG
(2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCS(N)(=O)=O)c1
Show InChI InChI=1S/C18H17FN4O3S/c19-14-4-6-15(7-5-14)23-18(20)16(11-22-23)17(24)13-3-1-2-12(10-13)8-9-27(21,25)26/h1-7,10-11H,8-9,20H2,(H2,21,25,26)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15725
PNG
(1-(4-fluorophenyl)-4-({3-[2-(morpholin-4-yl)ethoxy...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C22H23FN4O3/c23-17-4-6-18(7-5-17)27-22(24)20(15-25-27)21(28)16-2-1-3-19(14-16)30-13-10-26-8-11-29-12-9-26/h1-7,14-15H,8-13,24H2
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n/an/a 1.27E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15742
PNG
(1-(4-fluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carb...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O/c22-17-4-6-18(7-5-17)26-21(23)19(13-25-26)20(27)16-3-1-2-15(12-16)14-8-10-24-11-9-14/h1-13H,23H2
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n/an/a 1.28E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15734
PNG
(1-(4-fluorophenyl)-4-({3-[3-(piperidin-1-yl)prop-1...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCCCC1
Show InChI InChI=1S/C24H23FN4O/c25-20-9-11-21(12-10-20)29-24(26)22(17-27-29)23(30)19-8-4-6-18(16-19)7-5-15-28-13-2-1-3-14-28/h4,6,8-12,16-17H,1-3,13-15,26H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15728
PNG
(1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CCc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H26FN5O/c1-27-11-13-28(14-12-27)10-9-17-3-2-4-18(15-17)22(30)21-16-26-29(23(21)25)20-7-5-19(24)6-8-20/h2-8,15-16H,9-14,25H2,1H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15735
PNG
(1-(4-fluorophenyl)-4-({3-[3-(morpholin-4-yl)prop-1...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCOCC1
Show InChI InChI=1S/C23H21FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,10-14,25H2
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n/an/a 1.72E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15737
PNG
(1-(4-fluorophenyl)-4-({3-[3-(morpholin-4-yl)propyl...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCCN2CCOCC2)c1
Show InChI InChI=1S/C23H25FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,2,4,10-14,25H2
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n/an/a 1.74E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15739
PNG
(1-(4-fluorophenyl)-4-({3-[2-(piperidin-1-yl)ethoxy...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCCCC2)c1
Show InChI InChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2
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n/an/a 1.84E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15726
PNG
(1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)p...)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN5O/c1-25-9-11-26(12-10-25)18-4-2-3-15(13-18)20(28)19-14-24-27(21(19)23)17-7-5-16(22)6-8-17/h2-8,13-14H,9-12,23H2,1H3
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n/an/a 2.00E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15732
PNG
(4-({3-[3-(dimethylamino)prop-1-yn-1-yl]phenyl}carb...)
Show SMILES CN(C)CC#Cc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN4O/c1-25(2)12-4-6-15-5-3-7-16(13-15)20(27)19-14-24-26(21(19)23)18-10-8-17(22)9-11-18/h3,5,7-11,13-14H,12,23H2,1-2H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15714
PNG
((5-Amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone ...)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
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n/an/a 2.30E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15727
PNG
(4-{[3-(2-aminoethyl)phenyl]carbonyl}-1-(4-fluoroph...)
Show SMILES NCCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O/c19-14-4-6-15(7-5-14)23-18(21)16(11-22-23)17(24)13-3-1-2-12(10-13)8-9-20/h1-7,10-11H,8-9,20-21H2
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n/an/a 2.44E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15733
PNG
(1-(4-fluorophenyl)-4-({3-[3-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CC#Cc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H24FN5O/c1-28-12-14-29(15-13-28)11-3-5-18-4-2-6-19(16-18)23(31)22-17-27-30(24(22)26)21-9-7-20(25)8-10-21/h2,4,6-10,16-17H,11-15,26H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15722
PNG
(4-benzoyl-1-(2-fluorophenyl)-1H-pyrazol-5-amine | ...)
Show SMILES Nc1c(cnn1-c1ccccc1F)C(=O)c1ccccc1
Show InChI InChI=1S/C16H12FN3O/c17-13-8-4-5-9-14(13)20-16(18)12(10-19-20)15(21)11-6-2-1-3-7-11/h1-10H,18H2
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n/an/a 2.86E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15736
PNG
(1-(4-fluorophenyl)-4-({4-[3-(morpholin-4-yl)prop-1...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#CCN1CCOCC1
Show InChI InChI=1S/C23H21FN4O2/c24-19-7-9-20(10-8-19)28-23(25)21(16-26-28)22(29)18-5-3-17(4-6-18)2-1-11-27-12-14-30-15-13-27/h3-10,16H,11-15,25H2
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n/an/a 3.13E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15751
PNG
(1-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)CO
Show InChI InChI=1S/C18H16FN3O3/c19-13-4-6-14(7-5-13)22-18(20)15(9-21-22)17(25)12-3-1-2-11(8-12)16(24)10-23/h1-9,16,23-24H,10,20H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15731
PNG
(3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCO
Show InChI InChI=1S/C19H14FN3O2/c20-15-6-8-16(9-7-15)23-19(21)17(12-22-23)18(25)14-5-1-3-13(11-14)4-2-10-24/h1,3,5-9,11-12,24H,10,21H2
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n/an/a 4.04E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15729
PNG
(3-[5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbon...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C17H11FN4O/c18-13-4-6-14(7-5-13)22-17(20)15(10-21-22)16(23)12-3-1-2-11(8-12)9-19/h1-8,10H,20H2
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n/an/a 4.76E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15721
PNG
(4-benzoyl-1-(3-fluorophenyl)-1H-pyrazol-5-amine | ...)
Show SMILES Nc1c(cnn1-c1cccc(F)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H12FN3O/c17-12-7-4-8-13(9-12)20-16(18)14(10-19-20)15(21)11-5-2-1-3-6-11/h1-10H,18H2
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n/an/a 6.70E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15723
PNG
(4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine |...)
Show SMILES COc1ccc(cc1)-n1ncc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)20-17(18)15(11-19-20)16(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
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n/an/a 7.06E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15724
PNG
(4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine |...)
Show SMILES COc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
Show InChI InChI=1S/C17H15N3O2/c1-22-15-10-6-5-9-14(15)20-17(18)13(11-19-20)16(21)12-7-3-2-4-8-12/h2-11H,18H2,1H3
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n/an/a 8.38E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15730
PNG
(4-[5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbon...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11FN4O/c18-13-5-7-14(8-6-13)22-17(20)15(10-21-22)16(23)12-3-1-11(9-19)2-4-12/h1-8,10H,20H2
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n/an/a 8.38E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15752
PNG
(2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)(CO)CO
Show InChI InChI=1S/C19H18FN3O4/c20-14-4-6-15(7-5-14)23-18(21)16(9-22-23)17(26)12-2-1-3-13(8-12)19(27,10-24)11-25/h1-9,24-25,27H,10-11,21H2
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n/an/a 9.54E+3n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15738
PNG
(1-(4-fluorophenyl)-4-({4-[3-(morpholin-4-yl)propyl...)
Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(CCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H25FN4O2/c24-19-7-9-20(10-8-19)28-23(25)21(16-26-28)22(29)18-5-3-17(4-6-18)2-1-11-27-12-14-30-15-13-27/h3-10,16H,1-2,11-15,25H2
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n/an/a 2.23E+4n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15717
PNG
((5-Amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone ...)
Show SMILES CO\N=C(/c1cnn(c1N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-22-20-16(13-8-4-2-5-9-13)15-12-19-21(17(15)18)14-10-6-3-7-11-14/h2-12H,18H2,1H3/b20-16-
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n/an/a 5.10E+4n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15719
PNG
(4-benzoyl-1-(3-nitrophenyl)-1H-pyrazol-5-amine | [...)
Show SMILES Nc1c(cnn1-c1cccc(c1)[N+]([O-])=O)C(=O)c1ccccc1
Show InChI InChI=1S/C16H12N4O3/c17-16-14(15(21)11-5-2-1-3-6-11)10-18-19(16)12-7-4-8-13(9-12)20(22)23/h1-10H,17H2
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n/an/a 6.42E+4n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15716
PNG
((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)pheny...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3
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n/an/a>1.00E+5n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM15715
PNG
(4-Benzoyl-2-phenyl-2H-pyrazole-3-carbonitrile | 4-...)
Show SMILES O=C(c1cnn(c1C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-11-16-15(17(21)13-7-3-1-4-8-13)12-19-20(16)14-9-5-2-6-10-14/h1-10,12H
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n/an/a>1.00E+5n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...

J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair