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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase p38


(Mus musculus (mouse))
BDBM14838
PNG
(1-(5-iso-Propyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H33N5O3/c1-21(2)26-20-28(34(32-26)22-8-4-3-5-9-22)31-29(35)30-25-12-13-27(24-11-7-6-10-23(24)25)37-19-16-33-14-17-36-18-15-33/h3-13,20-21H,14-19H2,1-2H3,(H2,30,31,35)
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PubMed
n/an/an/a 6n/an/an/a7.023



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half re...


J Med Chem 46: 4669-75 (2003)


Article DOI: 10.1021/jm030120s
BindingDB Entry DOI: 10.7270/Q2833Q8J
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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PubMed
n/an/an/a 20n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Mus musculus (mouse))
BDBM14834
PNG
(1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO
Show InChI InChI=1S/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)
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n/an/an/a 56n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14842
PNG
(1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...)
Show SMILES O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)
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PubMed
n/an/an/a 2.40E+3n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14838
PNG
(1-(5-iso-Propyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H33N5O3/c1-21(2)26-20-28(34(32-26)22-8-4-3-5-9-22)31-29(35)30-25-12-13-27(24-11-7-6-10-23(24)25)37-19-16-33-14-17-36-18-15-33/h3-13,20-21H,14-19H2,1-2H3,(H2,30,31,35)
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n/an/an/a 3.40n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14839
PNG
(1-(5-tert-Butyl-2-phenyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H35N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h4-14,21H,15-20H2,1-3H3,(H2,31,32,36)
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n/an/an/a 0.230n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14843
PNG
(1-[5-(1-Methylcyclohexyl)-2-phenyl-2H-pyrazol-3-yl...)
Show SMILES CC1(CCCCC1)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C33H39N5O3/c1-33(16-8-3-9-17-33)30-24-31(38(36-30)25-10-4-2-5-11-25)35-32(39)34-28-14-15-29(27-13-7-6-12-26(27)28)41-23-20-37-18-21-40-22-19-37/h2,4-7,10-15,24H,3,8-9,16-23H2,1H3,(H2,34,35,39)
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n/an/an/a 1.90n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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Article
PubMed
n/an/an/a 0.0460n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Mus musculus (mouse))
BDBM14844
PNG
(1-[5-tert-Butyl-2-(6-methyl-pyridin-3-yl)-2H-pyraz...)
Show SMILES Cc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H36N6O3/c1-21-9-10-22(20-31-21)36-28(19-27(34-36)30(2,3)4)33-29(37)32-25-11-12-26(24-8-6-5-7-23(24)25)39-18-15-35-13-16-38-17-14-35/h5-12,19-20H,13-18H2,1-4H3,(H2,32,33,37)
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PubMed
n/an/an/a 0.180n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14845
PNG
(1-(2-Benzyl-5-tert-butyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(Cc2ccccc2)n1
Show InChI InChI=1S/C31H37N5O3/c1-31(2,3)28-21-29(36(34-28)22-23-9-5-4-6-10-23)33-30(37)32-26-13-14-27(25-12-8-7-11-24(25)26)39-20-17-35-15-18-38-19-16-35/h4-14,21H,15-20,22H2,1-3H3,(H2,32,33,37)
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n/an/an/a 64n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14835
PNG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23(29(4)28-22)27-24(31)26-20-9-10-21(19-8-6-5-7-18(19)20)33-16-13-30-11-14-32-15-12-30/h5-10,17H,11-16H2,1-4H3,(H2,26,27,31)
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n/an/an/a 26n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14846
PNG
(1-(3-tert-butyl-1-cyclohexyl-1H-pyrazol-5-yl)-3-[4...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)C1CCCCC1
Show InChI InChI=1S/C30H41N5O3/c1-30(2,3)27-21-28(35(33-27)22-9-5-4-6-10-22)32-29(36)31-25-13-14-26(24-12-8-7-11-23(24)25)38-20-17-34-15-18-37-19-16-34/h7-8,11-14,21-22H,4-6,9-10,15-20H2,1-3H3,(H2,31,32,36)
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n/an/an/a 23n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14847
PNG
(1-[2-(3-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C30H36N6O3/c1-30(2,3)27-20-28(36(34-27)22-8-6-7-21(31)19-22)33-29(37)32-25-11-12-26(24-10-5-4-9-23(24)25)39-18-15-35-13-16-38-17-14-35/h4-12,19-20H,13-18,31H2,1-3H3,(H2,32,33,37)
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n/an/an/a 0.230n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14848
PNG
(BIRB-796 Analog 39 | N-(3-{3-tert-butyl-5-[({4-[2-...)
Show SMILES CC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H38N6O4/c1-22(39)33-23-8-7-9-24(20-23)38-30(21-29(36-38)32(2,3)4)35-31(40)34-27-12-13-28(26-11-6-5-10-25(26)27)42-19-16-37-14-17-41-18-15-37/h5-13,20-21H,14-19H2,1-4H3,(H,33,39)(H2,34,35,40)
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n/an/an/a 9.90n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14849
PNG
(1-[2-(4-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccc(N)cc1
Show InChI InChI=1S/C30H36N6O3/c1-30(2,3)27-20-28(36(34-27)22-10-8-21(31)9-11-22)33-29(37)32-25-12-13-26(24-7-5-4-6-23(24)25)39-19-16-35-14-17-38-18-15-35/h4-13,20H,14-19,31H2,1-3H3,(H2,32,33,37)
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n/an/an/a 0.160n/an/an/a7.025



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14850
PNG
(BIRB-796 Analog 41 | N-(4-{3-tert-butyl-5-[({4-[2-...)
Show SMILES CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H38N6O4/c1-22(39)33-23-9-11-24(12-10-23)38-30(21-29(36-38)32(2,3)4)35-31(40)34-27-13-14-28(26-8-6-5-7-25(26)27)42-20-17-37-15-18-41-19-16-37/h5-14,21H,15-20H2,1-4H3,(H,33,39)(H2,34,35,40)
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n/an/an/a 64n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14851
PNG
(1-[5-tert-Butyl-2-(6-methoxypyridin-3-yl)-2H-pyraz...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H36N6O4/c1-30(2,3)26-19-27(36(34-26)21-9-12-28(38-4)31-20-21)33-29(37)32-24-10-11-25(23-8-6-5-7-22(23)24)40-18-15-35-13-16-39-17-14-35/h5-12,19-20H,13-18H2,1-4H3,(H2,32,33,37)
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n/an/an/a 0.870n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14837
PNG
(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)
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n/an/an/a 11n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14853
PNG
(1-[5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCS(=O)CC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3S/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-18-15-35-16-19-40(38)20-17-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 0.400n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14840
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-9-11-24(12-10-22)37-30(21-29(36-37)32(2,3)4)35-31(38)34-27-13-14-28(26-8-6-5-7-25(26)27)39-20-17-23-15-18-33-19-16-23/h5-16,18-19,21H,17,20H2,1-4H3,(H2,34,35,38)
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n/an/an/a 0.100n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14855
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCCCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H39N5O2/c1-23-12-14-24(15-13-23)37-30(22-29(35-37)32(2,3)4)34-31(38)33-27-16-17-28(26-11-7-6-10-25(26)27)39-21-20-36-18-8-5-9-19-36/h6-7,10-17,22H,5,8-9,18-21H2,1-4H3,(H2,33,34,38)
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n/an/an/a 14n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14856
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCNCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H38N6O2/c1-22-9-11-23(12-10-22)37-29(21-28(35-37)31(2,3)4)34-30(38)33-26-13-14-27(25-8-6-5-7-24(25)26)39-20-19-36-17-15-32-16-18-36/h5-14,21,32H,15-20H2,1-4H3,(H2,33,34,38)
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n/an/an/a 12n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14857
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{4-[2...)
Show SMILES C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@@H](C)O1
Show InChI InChI=1S/C33H41N5O3/c1-22-11-13-25(14-12-22)38-31(19-30(36-38)33(4,5)6)35-32(39)34-28-15-16-29(27-10-8-7-9-26(27)28)40-18-17-37-20-23(2)41-24(3)21-37/h7-16,19,23-24H,17-18,20-21H2,1-6H3,(H2,34,35,39)/t23-,24+
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n/an/an/a 1.5n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14858
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{4-[2...)
Show SMILES C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@H](C)O1
Show InChI InChI=1S/C33H41N5O3/c1-22-11-13-25(14-12-22)38-31(19-30(36-38)33(4,5)6)35-32(39)34-28-15-16-29(27-10-8-7-9-26(27)28)40-18-17-37-20-23(2)41-24(3)21-37/h7-16,19,23-24H,17-18,20-21H2,1-6H3,(H2,34,35,39)/t23-,24-/m0/s1
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n/an/an/a 0.0960n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14859
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCSCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O2S/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)38-18-15-35-16-19-39-20-17-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 5.90n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14860
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H33N5O2/c1-22-11-13-24(14-12-22)37-30(20-29(36-37)32(2,3)4)35-31(38)34-27-15-16-28(26-10-6-5-9-25(26)27)39-19-17-23-8-7-18-33-21-23/h5-16,18,20-21H,17,19H2,1-4H3,(H2,34,35,38)
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n/an/an/a 0.520n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14861
PNG
(1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{4-[2...)
Show SMILES COc1ccc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)cc1OC
Show InChI InChI=1S/C35H38N4O4/c1-23-11-14-25(15-12-23)39-33(22-32(38-39)35(2,3)4)37-34(40)36-28-16-18-29(27-10-8-7-9-26(27)28)43-20-19-24-13-17-30(41-5)31(21-24)42-6/h7-18,21-22H,19-20H2,1-6H3,(H2,36,37,40)
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n/an/an/a 3.5n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM14862
PNG
(1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H32N6O2/c1-21-9-11-22(12-10-21)36-28(19-27(34-36)30(2,3)4)33-29(37)32-25-13-14-26(24-8-6-5-7-23(24)25)38-18-17-35-16-15-31-20-35/h5-16,19-20H,17-18H2,1-4H3,(H2,32,33,37)
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n/an/an/a 0.0740n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17057
PNG
(7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-...)
Show SMILES Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H14Cl3N3O/c21-15-5-2-1-4-12(15)13-8-11(24)9-18-14(13)10-25-20(27)26(18)19-16(22)6-3-7-17(19)23/h1-9H,10,24H2,(H,25,27)
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n/an/a 6n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17058
PNG
(CHEMBL94556 | Dihydro-quinazolinone analog, 7 | me...)
Show SMILES COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H15Cl3N2O3/c1-30-21(28)12-9-14(13-5-2-3-6-16(13)23)15-11-26-22(29)27(19(15)10-12)20-17(24)7-4-8-18(20)25/h2-10H,11H2,1H3,(H,26,29)
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n/an/a 2n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17059
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydrox...)
Show SMILES Oc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H13Cl3N2O2/c21-15-5-2-1-4-12(15)13-8-11(26)9-18-14(13)10-24-20(27)25(18)19-16(22)6-3-7-17(19)23/h1-9,26H,10H2,(H,24,27)
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n/an/a 2n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17062
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(methy...)
Show SMILES CSc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H13Cl3N4OS/c1-28-18-24-15(10-5-2-3-6-12(10)20)11-9-23-19(27)26(17(11)25-18)16-13(21)7-4-8-14(16)22/h2-8H,9H2,1H3,(H,23,27)
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n/an/a 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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17063
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-methan...)
Show SMILES CS(=O)(=O)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H13Cl3N4O3S/c1-30(28,29)18-24-15(10-5-2-3-6-12(10)20)11-9-23-19(27)26(17(11)25-18)16-13(21)7-4-8-14(16)22/h2-8H,9H2,1H3,(H,23,27)
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n/an/a 4.20n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17064
PNG
(7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-...)
Show SMILES Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H12Cl3N5O/c19-11-5-2-1-4-9(11)14-10-8-23-18(27)26(16(10)25-17(22)24-14)15-12(20)6-3-7-13(15)21/h1-7H,8H2,(H,23,27)(H2,22,24,25)
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n/an/a 5.30n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17065
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(methy...)
Show SMILES CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H14Cl3N5O/c1-23-18-25-15(10-5-2-3-6-12(10)20)11-9-24-19(28)27(17(11)26-18)16-13(21)7-4-8-14(16)22/h2-8H,9H2,1H3,(H,24,28)(H,23,25,26)
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n/an/a 2n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17066
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(dimet...)
Show SMILES CN(C)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C20H16Cl3N5O/c1-27(2)19-25-16(11-6-3-4-7-13(11)21)12-10-24-20(29)28(18(12)26-19)17-14(22)8-5-9-15(17)23/h3-9H,10H2,1-2H3,(H,24,29)
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n/an/a 3n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17069
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{1H,4H...)
Show SMILES Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCc2[nH]ncc2C1
Show InChI InChI=1S/C24H18Cl3N7O/c25-16-5-2-1-4-14(16)20-15-11-28-24(35)34(21-17(26)6-3-7-18(21)27)22(15)31-23(30-20)33-9-8-19-13(12-33)10-29-32-19/h1-7,10H,8-9,11-12H2,(H,28,35)(H,29,32)
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n/an/a 1.90n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17070
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-hydrox...)
Show SMILES Clc1ccccc1-c1nc(=O)[nH]c2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H11Cl3N4O2/c19-11-5-2-1-4-9(11)14-10-8-22-18(27)25(16(10)24-17(26)23-14)15-12(20)6-3-7-13(15)21/h1-7H,8H2,(H,22,27)(H,23,24,26)
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n/an/a 4n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17071
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-[(...)
Show SMILES COCCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H17Cl4N5O2/c1-32-8-7-26-20-28-17(12-6-5-11(22)9-16(12)25)13-10-27-21(31)30(19(13)29-20)18-14(23)3-2-4-15(18)24/h2-6,9H,7-8,10H2,1H3,(H,27,31)(H,26,28,29)
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n/an/a 2n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17072
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{[...)
Show SMILES CN(C)CCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H20Cl4N6O/c1-31(2)9-8-27-21-29-18(13-7-6-12(23)10-17(13)26)14-11-28-22(33)32(20(14)30-21)19-15(24)4-3-5-16(19)25/h3-7,10H,8-9,11H2,1-2H3,(H,28,33)(H,27,29,30)
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n/an/a 5.60n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17073
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[2-(di...)
Show SMILES CN(C)CCOc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H20Cl3N5O2/c1-29(2)10-11-32-21-27-18(13-6-3-4-7-15(13)23)14-12-26-22(31)30(20(14)28-21)19-16(24)8-5-9-17(19)25/h3-9H,10-12H2,1-2H3,(H,26,31)
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n/an/a 4.20n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17076
PNG
(5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-[4...)
Show SMILES CC(C)N1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H24Cl4N6O/c1-14(2)33-8-10-34(11-9-33)24-31-21(16-7-6-15(26)12-20(16)29)17-13-30-25(36)35(23(17)32-24)22-18(27)4-3-5-19(22)28/h3-7,12,14H,8-11,13H2,1-2H3,(H,30,36)
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n/an/a 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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM17077
PNG
(5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(morph...)
Show SMILES Clc1ccccc1-c1nc(NN2CCOCC2)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H19Cl3N6O2/c23-15-5-2-1-4-13(15)18-14-12-26-22(32)31(19-16(24)6-3-7-17(19)25)20(14)28-21(27-18)29-30-8-10-33-11-9-30/h1-7H,8-12H2,(H,26,32)(H,27,28,29)
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n/an/a 4n/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...


Bioorg Med Chem Lett 16: 4400-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.045
BindingDB Entry DOI: 10.7270/Q2NS0S56
More data for this
Ligand-Target Pair
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