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Compile Data Set for Download or QSAR

Found 39 hits from AstraZeneca R&D Lund   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323635
PNG
(6-(4-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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96n/an/an/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Competitive inhibition of MK2 ATP-binding site


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323635
PNG
(6-(4-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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310n/an/an/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of MK2 ATP-binding site


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323635
PNG
(6-(4-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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320n/an/an/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Mixed inhibition of MK2 ATP-binding site


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323635
PNG
(6-(4-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of MK2 ATP-binding site


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323634
PNG
(6-(4-bromophenyl)-N-(4-(4-methylpiperazin-1-yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H25BrN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323635
PNG
(6-(4-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323645
PNG
(CHEMBL1209120 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CSc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H28N4S/c1-30-15-17-31(18-16-30)23-8-6-22(7-9-23)29-27-13-14-28-26-12-5-21(19-25(26)27)20-3-10-24(32-2)11-4-20/h3-14,19H,15-18H2,1-2H3,(H,28,29)
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323636
PNG
(6-(4-fluorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN4/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-4-20(18-24(25)26)19-2-5-21(27)6-3-19/h2-13,18H,14-17H2,1H3,(H,28,29)
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323646
PNG
(CHEMBL1209121 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H28N4/c1-20-3-5-21(6-4-20)22-7-12-26-25(19-22)27(13-14-28-26)29-23-8-10-24(11-9-23)31-17-15-30(2)16-18-31/h3-14,19H,15-18H2,1-2H3,(H,28,29)
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n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323644
PNG
(CHEMBL1209119 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N4/c1-33-14-16-34(17-15-33)23-9-7-22(8-10-23)32-26-12-13-31-25-11-4-20(18-24(25)26)19-2-5-21(6-3-19)27(28,29)30/h2-13,18H,14-17H2,1H3,(H,31,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323647
PNG
(CHEMBL1209122 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(C)c2)cc1
Show InChI InChI=1S/C27H28N4/c1-20-4-3-5-21(18-20)22-6-11-26-25(19-22)27(12-13-28-26)29-23-7-9-24(10-8-23)31-16-14-30(2)15-17-31/h3-13,18-19H,14-17H2,1-2H3,(H,28,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323640
PNG
(CHEMBL1209066 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N4/c1-33-13-15-34(16-14-33)23-8-6-22(7-9-23)32-26-11-12-31-25-10-5-20(18-24(25)26)19-3-2-4-21(17-19)27(28,29)30/h2-12,17-18H,13-16H2,1H3,(H,31,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323643
PNG
(4-(4-(4-(4-methylpiperazin-1-yl)phenylamino)quinol...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C27H26N4O/c1-30-14-16-31(17-15-30)24-9-7-23(8-10-24)29-27-12-13-28-26-11-6-22(18-25(26)27)21-4-2-20(19-32)3-5-21/h2-13,18-19H,14-17H2,1H3,(H,28,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323641
PNG
(6-(3-chlorophenyl)-N-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25ClN4/c1-30-13-15-31(16-14-30)23-8-6-22(7-9-23)29-26-11-12-28-25-10-5-20(18-24(25)26)19-3-2-4-21(27)17-19/h2-12,17-18H,13-16H2,1H3,(H,28,29)
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323630
PNG
(CHEMBL549224 | N-(4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H26N4/c1-29-15-17-30(18-16-29)23-10-8-22(9-11-23)28-26-13-14-27-25-12-7-21(19-24(25)26)20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,27,28)
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n/an/a 5.20E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323642
PNG
(6-(3-methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1cccc(c1)-c1ccc2nccc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H28N4O/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-27-12-13-28-26-11-6-21(19-25(26)27)20-4-3-5-24(18-20)32-2/h3-13,18-19H,14-17H2,1-2H3,(H,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323638
PNG
(CHEMBL1209010 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C26H25N5O2/c1-29-13-15-30(16-14-29)22-8-6-21(7-9-22)28-26-11-12-27-25-10-5-20(18-24(25)26)19-3-2-4-23(17-19)31(32)33/h2-12,17-18H,13-16H2,1H3,(H,27,28)
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n/an/a 9.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323618
PNG
(4-(6-(4-chlorophenyl)quinolin-4-ylamino)benzoic ac...)
Show SMILES OC(=O)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H15ClN2O2/c23-17-6-1-14(2-7-17)16-5-10-20-19(13-16)21(11-12-24-20)25-18-8-3-15(4-9-18)22(26)27/h1-13H,(H,24,25)(H,26,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323639
PNG
(6-(3-aminophenyl)-N-(4-(4-methylpiperazin-1-yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C26H27N5/c1-30-13-15-31(16-14-30)23-8-6-22(7-9-23)29-26-11-12-28-25-10-5-20(18-24(25)26)19-3-2-4-21(27)17-19/h2-12,17-18H,13-16,27H2,1H3,(H,28,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323623
PNG
((4-(6-(4-chlorophenyl)quinolin-4-ylamino)phenyl)(4...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H25ClN4O/c1-31-14-16-32(17-15-31)27(33)20-4-9-23(10-5-20)30-26-12-13-29-25-11-6-21(18-24(25)26)19-2-7-22(28)8-3-19/h2-13,18H,14-17H2,1H3,(H,29,30)
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323615
PNG
(2-(4-(6-phenylquinolin-4-ylamino)phenyl)ethanol | ...)
Show SMILES OCCc1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2O/c26-15-13-17-6-9-20(10-7-17)25-23-12-14-24-22-11-8-19(16-21(22)23)18-4-2-1-3-5-18/h1-12,14,16,26H,13,15H2,(H,24,25)
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n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323619
PNG
(4-(6-(4-chlorophenyl)quinolin-4-ylamino)phenol | C...)
Show SMILES Oc1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-16-4-1-14(2-5-16)15-3-10-20-19(13-15)21(11-12-23-20)24-17-6-8-18(25)9-7-17/h1-13,25H,(H,23,24)
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n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323620
PNG
(6-(4-chlorophenyl)-N-(4-morpholinophenyl)quinolin-...)
Show SMILES Clc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)N3CCOCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O/c26-20-4-1-18(2-5-20)19-3-10-24-23(17-19)25(11-12-27-24)28-21-6-8-22(9-7-21)29-13-15-30-16-14-29/h1-12,17H,13-16H2,(H,27,28)
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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323625
PNG
(4-(6-p-tolylquinolin-4-ylamino)phenol | CHEMBL1208...)
Show SMILES Cc1ccc(cc1)-c1ccc2nccc(Nc3ccc(O)cc3)c2c1
Show InChI InChI=1S/C22H18N2O/c1-15-2-4-16(5-3-15)17-6-11-21-20(14-17)22(12-13-23-21)24-18-7-9-19(25)10-8-18/h2-14,25H,1H3,(H,23,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323631
PNG
(CHEMBL1208888 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccsc2)cc1
Show InChI InChI=1S/C24H24N4S/c1-27-11-13-28(14-12-27)21-5-3-20(4-6-21)26-24-8-10-25-23-7-2-18(16-22(23)24)19-9-15-29-17-19/h2-10,15-17H,11-14H2,1H3,(H,25,26)
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n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323622
PNG
(4-(6-(4-chlorophenyl)quinolin-4-ylamino)benzonitri...)
Show SMILES Clc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C22H14ClN3/c23-18-6-3-16(4-7-18)17-5-10-21-20(13-17)22(11-12-25-21)26-19-8-1-15(14-24)2-9-19/h1-13H,(H,25,26)
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n/an/a 2.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323626
PNG
(4-(6-p-tolylquinolin-4-ylamino)benzonitrile | CHEM...)
Show SMILES Cc1ccc(cc1)-c1ccc2nccc(Nc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C23H17N3/c1-16-2-6-18(7-3-16)19-8-11-22-21(14-19)23(12-13-25-22)26-20-9-4-17(15-24)5-10-20/h2-14H,1H3,(H,25,26)
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n/an/a 2.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323621
PNG
(2-(4-(6-(4-chlorophenyl)quinolin-4-ylamino)phenyl)...)
Show SMILES OCCc1ccc(Nc2ccnc3ccc(cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H19ClN2O/c24-19-6-3-17(4-7-19)18-5-10-22-21(15-18)23(11-13-25-22)26-20-8-1-16(2-9-20)12-14-27/h1-11,13,15,27H,12,14H2,(H,25,26)
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n/an/a 2.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323624
PNG
(4-chloro-2-(6-p-tolylquinolin-4-ylamino)phenol | C...)
Show SMILES Cc1ccc(cc1)-c1ccc2nccc(Nc3cc(Cl)ccc3O)c2c1
Show InChI InChI=1S/C22H17ClN2O/c1-14-2-4-15(5-3-14)16-6-8-19-18(12-16)20(10-11-24-19)25-21-13-17(23)7-9-22(21)26/h2-13,26H,1H3,(H,24,25)
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n/an/a 3.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323627
PNG
(CHEMBL1208885 | N-(2,3-dimethylphenyl)-6-p-tolylqu...)
Show SMILES Cc1ccc(cc1)-c1ccc2nccc(Nc3cccc(C)c3C)c2c1
Show InChI InChI=1S/C24H22N2/c1-16-7-9-19(10-8-16)20-11-12-23-21(15-20)24(13-14-25-23)26-22-6-4-5-17(2)18(22)3/h4-15H,1-3H3,(H,25,26)
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n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323616
PNG
(CHEMBL1209752 | N-(4-ethylphenyl)-6-phenylquinolin...)
Show SMILES CCc1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2/c1-2-17-8-11-20(12-9-17)25-23-14-15-24-22-13-10-19(16-21(22)23)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,24,25)
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n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323628
PNG
(4-chloro-2-(6-phenylquinolin-4-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Cl)cc1Nc1ccnc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2O/c22-16-7-9-21(25)20(13-16)24-19-10-11-23-18-8-6-15(12-17(18)19)14-4-2-1-3-5-14/h1-13,25H,(H,23,24)
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n/an/a 4.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323617
PNG
(CHEMBL1209832 | N-(4-morpholinophenyl)-6-phenylqui...)
Show SMILES C1CN(CCO1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O/c1-2-4-19(5-3-1)20-6-11-24-23(18-20)25(12-13-26-24)27-21-7-9-22(10-8-21)28-14-16-29-17-15-28/h1-13,18H,14-17H2,(H,26,27)
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n/an/a 1.20E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323629
PNG
(CHEMBL1208887 | N-(4-chloro-2-fluorophenyl)-6-(4-c...)
Show SMILES Fc1cc(Cl)ccc1Nc1ccnc2ccc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13Cl2FN2/c22-15-4-1-13(2-5-15)14-3-7-19-17(11-14)20(9-10-25-19)26-21-8-6-16(23)12-18(21)24/h1-12H,(H,25,26)
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n/an/a 1.21E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323614
PNG
(CHEMBL1209750 | N,6-diphenylquinolin-4-amine)
Show SMILES N(c1ccccc1)c1ccnc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2/c1-3-7-16(8-4-1)17-11-12-20-19(15-17)21(13-14-22-20)23-18-9-5-2-6-10-18/h1-15H,(H,22,23)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323637
PNG
(4-(4-(4-(4-methylpiperazin-1-yl)phenylamino)quinol...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H26N4O2/c1-30-14-16-31(17-15-30)23-9-7-22(8-10-23)29-26-12-13-28-25-11-6-21(18-24(25)26)19-2-4-20(5-3-19)27(32)33/h2-13,18H,14-17H2,1H3,(H,28,29)(H,32,33)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323633
PNG
(CHEMBL1208949 | N-(4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H24N4S/c1-27-12-14-28(15-13-27)20-7-5-19(6-8-20)26-23-10-11-25-22-9-4-18(17-21(22)23)24-3-2-16-29-24/h2-11,16-17H,12-15H2,1H3,(H,25,26)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50323632
PNG
(6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinol...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C20H21BrN4/c1-24-10-12-25(13-11-24)17-5-3-16(4-6-17)23-20-8-9-22-19-7-2-15(21)14-18(19)20/h2-9,14H,10-13H2,1H3,(H,22,23)
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50196110
PNG
(CHEMBL217665 | GNF-PF-2857 | N-(4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Lund

Curated by ChEMBL


Assay Description
Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4738-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.107
BindingDB Entry DOI: 10.7270/Q2HX1CVQ
More data for this
Ligand-Target Pair