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Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'ramesha' and Initial = 'c'   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151775
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-me...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151760
PNG
(3-(4-Fluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151758
PNG
(3-(2-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-15(9-12-5-3-4-6-16(12)18)14-8-7-13(22(2,20)21)10-17(14)19-11/h3-8,10,19H,9H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151763
PNG
(3-(4-Fluoro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16FNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151765
PNG
(3-(2,4-Difluoro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151762
PNG
(3-(2,4-Dichloro-phenoxy)-6-methanesulfonyl-2-methy...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H13Cl2NO3S/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151768
PNG
(3-(2-Chloro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11ClN2O2S2/c1-23(20,21)10-6-7-11-13(8-10)19-14(9-18)16(11)22-15-5-3-2-4-12(15)17/h2-8,19H,1H3
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n/an/a 130n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151759
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151773
PNG
(4-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-9-7-12(21-2)8-10-13)16-14(18-11)5-4-6-15(16)23(3,19)20/h4-10,18H,1-3H3
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Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151766
PNG
(3-(4-Chloro-benzyl)-6-methanesulfonyl-2-methyl-1H-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO2S/c1-11-16(9-12-3-5-13(18)6-4-12)15-8-7-14(22(2,20)21)10-17(15)19-11/h3-8,10,19H,9H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151782
PNG
(3-(2,4-Difluoro-benzyl)-6-methanesulfonyl-2-methyl...)
Show SMILES Cc1[nH]c2cc(ccc2c1Cc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H15F2NO2S/c1-10-15(7-11-3-4-12(18)8-16(11)19)14-6-5-13(23(2,21)22)9-17(14)20-10/h3-6,8-9,20H,7H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151783
PNG
(6-Methanesulfonyl-3-(4-methoxy-benzyl)-2-methyl-1H...)
Show SMILES COc1ccc(Cc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H19NO3S/c1-12-17(10-13-4-6-14(22-2)7-5-13)16-9-8-15(23(3,20)21)11-18(16)19-12/h4-9,11,19H,10H2,1-3H3
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n/an/a 270n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151767
PNG
(3-(4-Chloro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(Cl)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14ClNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151770
PNG
(3-(2-Chloro-4-methoxy-phenylsulfanyl)-6-methanesul...)
Show SMILES COc1ccc(Sc2c([nH]c3cc(ccc23)S(C)(=O)=O)C#N)c(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S2/c1-23-10-3-6-16(13(18)7-10)24-17-12-5-4-11(25(2,21)22)8-14(12)20-15(17)9-19/h3-8,20H,1-2H3
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Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151776
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,1-2H3
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n/an/a 380n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151776
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C17H13F2NO4S2/c1-24-17(21)15-16(25-14-6-3-9(18)7-12(14)19)11-5-4-10(26(2,22)23)8-13(11)20-15/h3-8,20H,1-2H3
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n/an/a 380n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151784
PNG
(CHEMBL184022 | [3-(4-Fluoro-phenylsulfanyl)-6-meth...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151774
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenylsulfanyl)-2-m...)
Show SMILES COc1ccc(Sc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO3S2/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
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n/an/a 470n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151768
PNG
(3-(2-Chloro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccccc3Cl)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11ClN2O2S2/c1-23(20,21)10-6-7-11-13(8-10)19-14(9-18)16(11)22-15-5-3-2-4-12(15)17/h2-8,19H,1H3
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n/an/a 570n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151779
PNG
((4-Fluoro-phenyl)-(6-methanesulfonyl-2-methyl-1H-i...)
Show SMILES Cc1[nH]c2cc(ccc2c1C(=O)c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO3S/c1-10-16(17(20)11-3-5-12(18)6-4-11)14-8-7-13(23(2,21)22)9-15(14)19-10/h3-9,19H,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
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)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151772
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C16H13F2NO2S2/c1-9-16(22-15-6-3-10(17)7-13(15)18)12-5-4-11(23(2,20)21)8-14(12)19-9/h3-8,19H,1-2H3
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n/an/a 770n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151777
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151764
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
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n/an/a 940n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151771
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H11FN2O2S2/c1-23(20,21)12-6-7-13-14(8-12)19-15(9-18)16(13)22-11-4-2-10(17)3-5-11/h2-8,19H,1H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151778
PNG
((6-Methanesulfonyl-2-methyl-1H-indol-3-yl)-(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)[nH]c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H17NO4S/c1-11-17(18(20)12-4-6-13(23-2)7-5-12)15-9-8-14(24(3,21)22)10-16(15)19-11/h4-10,19H,1-3H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151770
PNG
(3-(2-Chloro-4-methoxy-phenylsulfanyl)-6-methanesul...)
Show SMILES COc1ccc(Sc2c([nH]c3cc(ccc23)S(C)(=O)=O)C#N)c(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S2/c1-23-10-3-6-16(13(18)7-10)24-17-12-5-4-11(25(2,21)22)8-14(12)20-15(17)9-19/h3-8,20H,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151777
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151780
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c([nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H13FN2O3S2/c1-24(21,22)11-6-7-12-13(8-11)19-14(16(18)20)15(12)23-10-4-2-9(17)3-5-10/h2-8,19H,1H3,(H2,18,20)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151764
PNG
(3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c([nH]c2c1)C#N
Show InChI InChI=1S/C16H10F2N2O2S2/c1-24(21,22)10-3-4-11-13(7-10)20-14(8-19)16(11)23-15-5-2-9(17)6-12(15)18/h2-7,20H,1H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151773
PNG
(4-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cccc(c23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-9-7-12(21-2)8-10-13)16-14(18-11)5-4-6-15(16)23(3,19)20/h4-10,18H,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151759
PNG
(6-Methanesulfonyl-3-(4-methoxy-phenoxy)-2-methyl-1...)
Show SMILES COc1ccc(Oc2c(C)[nH]c3cc(ccc23)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H17NO4S/c1-11-17(22-13-6-4-12(21-2)5-7-13)15-9-8-14(23(3,19)20)10-16(15)18-11/h4-10,18H,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
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
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