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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'mourey' and Initial = 'rj'   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297122
PNG
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297122
PNG
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297120
PNG
((R)-9-Methyl-8,9,10,11-tetrahydro-3-oxa-6-thia-8,1...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C14H12N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297124
PNG
((R)-3-Chloro-10-methyl-9,10,11,12-tetrahydro-7-thi...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C15H12ClN3OS/c1-7-6-17-13-12-8-2-5-11(16)19-9(8)3-4-10(12)21-14(13)15(20)18-7/h2-5,7,17H,6H2,1H3,(H,18,20)/t7-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297121
PNG
((R)-9-Methyl-1,2,8,9,10,11-hexahydro-3-oxa-6-thia-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C14H14N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-3,7,15H,4-6H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297119
PNG
((R)-10-Methyl-3-(4-methyl-pyridin-3-yl)-9,10,11,12...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cnccc2C)C(=O)N1 |r|
Show InChI InChI=1S/C21H18N4OS/c1-11-7-8-22-10-14(11)16-4-3-13-15(25-16)5-6-17-18(13)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297113
PNG
((R)-10-Methyl-3-pyridin-3-yl-9,10,11,12-tetrahydro...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cccnc2)C(=O)N1 |r|
Show InChI InChI=1S/C20H16N4OS/c1-11-9-22-18-17-13-4-5-14(12-3-2-8-21-10-12)24-15(13)6-7-16(17)26-19(18)20(25)23-11/h2-8,10-11,22H,9H2,1H3,(H,23,25)/t11-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297151
PNG
((3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-...)
Show SMILES COc1ccc2sc3c(NC[C@@H](CN)NC3=O)c2c1 |r|
Show InChI InChI=1S/C13H15N3O2S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30204
PNG
(Pyrrolopyridine, 35)
Show SMILES O=C(NCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C26H22N4O2/c31-25(29-16-17-4-2-1-3-5-17)19-8-6-18(7-9-19)23-14-20(10-12-27-23)24-15-21-22(30-24)11-13-28-26(21)32/h1-10,12,14-15,30H,11,13,16H2,(H,28,32)(H,29,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30202
PNG
(Pyrrolopyridine, 33)
Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29)
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n/an/a 8n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297125
PNG
((R)-10-Methyl-3-phenyl-9,10,11,12-tetrahydro-7-thi...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C21H17N3OS/c1-12-11-22-19-18-14-7-8-15(13-5-3-2-4-6-13)24-16(14)9-10-17(18)26-20(19)21(25)23-12/h2-10,12,22H,11H2,1H3,(H,23,25)/t12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297146
PNG
((R)-3-Isobutoxy-7-methyl-5,6,7,8-tetrahydro-10-thi...)
Show SMILES CC(C)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-9(2)8-20-11-4-5-13-12(6-11)14-15(21-13)16(19)18-10(3)7-17-14/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)/t10-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50119298
PNG
((R)-3-Methoxy-7-methyl-5,6,7,8-tetrahydro-10-thia-...)
Show SMILES COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
Show InChI InChI=1S/C13H14N2O2S/c1-7-6-14-11-9-5-8(17-2)3-4-10(9)18-12(11)13(16)15-7/h3-5,7,14H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50119298
PNG
((R)-3-Methoxy-7-methyl-5,6,7,8-tetrahydro-10-thia-...)
Show SMILES COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
Show InChI InChI=1S/C13H14N2O2S/c1-7-6-14-11-9-5-8(17-2)3-4-10(9)18-12(11)13(16)15-7/h3-5,7,14H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19440
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES CC1CN(CC(C)N1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5/c1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25)
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n/an/a 12n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297149
PNG
((S)-7-Hydroxymethyl-3-methoxy-5,6,7,8-tetrahydro-1...)
Show SMILES COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1 |r|
Show InChI InChI=1S/C13H14N2O3S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)15-7(6-16)5-14-11/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/t7-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297117
PNG
((R)-3-(2-Fluoro-phenyl)-10-methyl-9,10,11,12-tetra...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2F)C(=O)N1 |r|
Show InChI InChI=1S/C21H16FN3OS/c1-11-10-23-19-18-13-6-7-15(12-4-2-3-5-14(12)22)25-16(13)8-9-17(18)27-20(19)21(26)24-11/h2-9,11,23H,10H2,1H3,(H,24,26)/t11-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297126
PNG
((R)-10-Methyl-3-pyridin-4-yl-9,10,11,12-tetrahydro...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccncc2)C(=O)N1 |r|
Show InChI InChI=1S/C20H16N4OS/c1-11-10-22-18-17-13-2-3-14(12-6-8-21-9-7-12)24-15(13)4-5-16(17)26-19(18)20(25)23-11/h2-9,11,22H,10H2,1H3,(H,23,25)/t11-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30201
PNG
(Pyrrolopyridine, 32)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C22H20N4O2/c27-21(25-16-5-6-16)14-3-1-13(2-4-14)19-11-15(7-9-23-19)20-12-17-18(26-20)8-10-24-22(17)28/h1-4,7,9,11-12,16,26H,5-6,8,10H2,(H,24,28)(H,25,27)
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n/an/a 15n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297120
PNG
((R)-9-Methyl-8,9,10,11-tetrahydro-3-oxa-6-thia-8,1...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C14H12N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19439
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES CC1CN(CCN1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24)
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n/an/a 16n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30203
PNG
(Pyrrolopyridine, 34)
Show SMILES O=C(NC1CCCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C25H26N4O2/c30-24(28-19-4-2-1-3-5-19)17-8-6-16(7-9-17)22-14-18(10-12-26-22)23-15-20-21(29-23)11-13-27-25(20)31/h6-10,12,14-15,19,29H,1-5,11,13H2,(H,27,31)(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297115
PNG
((R)-3-(2-Methoxy-phenyl)-10-methyl-9,10,11,12-tetr...)
Show SMILES COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
Show InChI InChI=1S/C22H19N3O2S/c1-12-11-23-20-19-14-7-8-15(13-5-3-4-6-17(13)27-2)25-16(14)9-10-18(19)28-21(20)22(26)24-12/h3-10,12,23H,11H2,1-2H3,(H,24,26)/t12-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30188
PNG
(Pyrrolopyridine, 19)
Show SMILES Oc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H15N3O2/c22-13-3-1-11(2-4-13)16-9-12(5-7-19-16)17-10-14-15(21-17)6-8-20-18(14)23/h1-5,7,9-10,21-22H,6,8H2,(H,20,23)
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n/an/a 21n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30200
PNG
(Pyrrolopyridine, 31)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H15N3O3/c23-18-14-10-17(22-15(14)6-8-21-18)13-5-7-20-16(9-13)11-1-3-12(4-2-11)19(24)25/h1-5,7,9-10,22H,6,8H2,(H,21,23)(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297114
PNG
((R)-10-Methyl-3-pyrimidin-5-yl-9,10,11,12-tetrahyd...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r|
Show InChI InChI=1S/C19H15N5OS/c1-10-6-22-17-16-12-2-3-13(11-7-20-9-21-8-11)24-14(12)4-5-15(16)26-18(17)19(25)23-10/h2-5,7-10,22H,6H2,1H3,(H,23,25)/t10-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30187
PNG
(Pyrrolopyridine, 18)
Show SMILES Oc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H15N3O2/c22-13-3-1-2-11(8-13)16-9-12(4-6-19-16)17-10-14-15(21-17)5-7-20-18(14)23/h1-4,6,8-10,21-22H,5,7H2,(H,20,23)
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n/an/a 25n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297149
PNG
((S)-7-Hydroxymethyl-3-methoxy-5,6,7,8-tetrahydro-1...)
Show SMILES COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1 |r|
Show InChI InChI=1S/C13H14N2O3S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)15-7(6-16)5-14-11/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)/t7-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297124
PNG
((R)-3-Chloro-10-methyl-9,10,11,12-tetrahydro-7-thi...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C15H12ClN3OS/c1-7-6-17-13-12-8-2-5-11(16)19-9(8)3-4-10(12)21-14(13)15(20)18-7/h2-5,7,17H,6H2,1H3,(H,18,20)/t7-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297142
PNG
((R)-3-Hydroxy-7-methyl-5,6,7,8-tetrahydro-10-thia-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc(O)cc23)C(=O)N1 |r|
Show InChI InChI=1S/C12H12N2O2S/c1-6-5-13-10-8-4-7(15)2-3-9(8)17-11(10)12(16)14-6/h2-4,6,13,15H,5H2,1H3,(H,14,16)/t6-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297121
PNG
((R)-9-Methyl-1,2,8,9,10,11-hexahydro-3-oxa-6-thia-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C14H14N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-3,7,15H,4-6H2,1H3,(H,16,17)/t7-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297118
PNG
((R)-10-Methyl-3-o-tolyl-9,10,11,12-tetrahydro-7-th...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2C)C(=O)N1 |r|
Show InChI InChI=1S/C22H19N3OS/c1-12-5-3-4-6-14(12)16-8-7-15-17(25-16)9-10-18-19(15)20-21(27-18)22(26)24-13(2)11-23-20/h3-10,13,23H,11H2,1-2H3,(H,24,26)/t13-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30184
PNG
(Pyrrolopyridine, 15)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C20H15N3OS/c24-20-14-11-16(23-15(14)6-8-22-20)12-5-7-21-17(9-12)19-10-13-3-1-2-4-18(13)25-19/h1-5,7,9-11,23H,6,8H2,(H,22,24)
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n/an/a 30n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297146
PNG
((R)-3-Isobutoxy-7-methyl-5,6,7,8-tetrahydro-10-thi...)
Show SMILES CC(C)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-9(2)8-20-11-4-5-13-12(6-11)14-15(21-13)16(19)18-10(3)7-17-14/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30193
PNG
(Pyrrolopyridine, 24)
Show SMILES Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
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n/an/a 30n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30191
PNG
(Pyrrolopyridine, 22)
Show SMILES Clc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14ClN3O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 32n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30190
PNG
(Pyrrolopyridine, 21)
Show SMILES Clc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14ClN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
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n/an/a 37n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50119298
PNG
((R)-3-Methoxy-7-methyl-5,6,7,8-tetrahydro-10-thia-...)
Show SMILES COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
Show InChI InChI=1S/C13H14N2O2S/c1-7-6-14-11-9-5-8(17-2)3-4-10(9)18-12(11)13(16)15-7/h3-5,7,14H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19435
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(N2CCCC3CCCCC23)c1-c1ccncc1 |w:19.20,15.16|
Show InChI InChI=1S/C23H25ClN4/c24-19-9-7-18(8-10-19)22-21(17-11-13-25-14-12-17)23(27-26-22)28-15-3-5-16-4-1-2-6-20(16)28/h7-14,16,20H,1-6,15H2,(H,26,27)
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n/an/a 40n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50119298
PNG
((R)-3-Methoxy-7-methyl-5,6,7,8-tetrahydro-10-thia-...)
Show SMILES COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
Show InChI InChI=1S/C13H14N2O2S/c1-7-6-14-11-9-5-8(17-2)3-4-10(9)18-12(11)13(16)15-7/h3-5,7,14H,6H2,1-2H3,(H,15,16)/t7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297116
PNG
((R)-3-(3-Methoxy-phenyl)-10-methyl-9,10,11,12-tetr...)
Show SMILES COc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
Show InChI InChI=1S/C22H19N3O2S/c1-12-11-23-20-19-15-6-7-16(13-4-3-5-14(10-13)27-2)25-17(15)8-9-18(19)28-21(20)22(26)24-12/h3-10,12,23H,11H2,1-2H3,(H,24,26)/t12-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30199
PNG
(Pyrrolopyridine, 30)
Show SMILES Nc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8,19H2,(H,21,23)
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n/an/a 41n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30205
PNG
(Pyrrolopyridine, 36)
Show SMILES O=C(NCCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C27H24N4O2/c32-26(29-13-10-18-4-2-1-3-5-18)20-8-6-19(7-9-20)24-16-21(11-14-28-24)25-17-22-23(31-25)12-15-30-27(22)33/h1-9,11,14,16-17,31H,10,12-13,15H2,(H,29,32)(H,30,33)
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n/an/a 46n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30180
PNG
(Pyrrolopyridine, 11)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cccnc1
Show InChI InChI=1S/C17H14N4O/c22-17-13-9-16(21-14(13)4-7-20-17)11-3-6-19-15(8-11)12-2-1-5-18-10-12/h1-3,5-6,8-10,21H,4,7H2,(H,20,22)
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n/an/a 48n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30194
PNG
(Pyrrolopyridine, 25)
Show SMILES Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 50n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19430
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES CN1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-24-10-12-25(13-11-24)19-17(14-6-8-21-9-7-14)18(22-23-19)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,22,23)
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n/an/a 50n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50297122
PNG
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)
Show SMILES C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production


Bioorg Med Chem Lett 19: 4882-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30197
PNG
(Pyrrolopyridine, 28)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17N3O2/c1-12(24)13-2-4-14(5-3-13)18-10-15(6-8-21-18)19-11-16-17(23-19)7-9-22-20(16)25/h2-6,8,10-11,23H,7,9H2,1H3,(H,22,25)
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n/an/a 51n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
BindingDB Entry DOI: 10.7270/Q2794313
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50297144
PNG
((R)-3-Cyclopropylmethoxy-7-methyl-5,6,7,8-tetrahyd...)
Show SMILES C[C@@H]1CNc2c(sc3ccc(OCC4CC4)cc23)C(=O)N1 |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-7-17-14-12-6-11(20-8-10-2-3-10)4-5-13(12)21-15(14)16(19)18-9/h4-6,9-10,17H,2-3,7-8H2,1H3,(H,18,19)/t9-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 4878-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.015
BindingDB Entry DOI: 10.7270/Q28K795K
More data for this
Ligand-Target Pair
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