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10 similar compounds to monomer 50395272

Compile data set for download or QSAR
Wt: 360.4
BDBM50297113
Wt: 361.4
BDBM50297114
Wt: 389.4
BDBM50297115
Wt: 389.4
BDBM50297116
Wt: 377.4
BDBM50297117
Wt: 373.4
BDBM50297118
Wt: 374.4
BDBM50297119
Wt: 359.4
BDBM50297125
Wt: 360.4
BDBM50297126
Wt: 283.3
BDBM50297122

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50297113,50297114,50297115,50297116,50297117,50297118,50297119,50297125,50297126,50297122   
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))
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
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 220n/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
Cyclin-dependent kinase 1


(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
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 2.21E+3n/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))
BDBM50297115
PNG
((R)-3-(2-Methoxy-phenyl)-10-methyl-9,10,11,12-tetr...)
Show SMILES COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
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 1.04E+3n/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))
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
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 690n/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))
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
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 930n/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))
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
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 3.36E+3n/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))
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
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 150n/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))
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
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
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
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
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
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))
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
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))
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
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))
BDBM50297115
PNG
((R)-3-(2-Methoxy-phenyl)-10-methyl-9,10,11,12-tetr...)
Show SMILES COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
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))
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
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))
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
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))
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
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))
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
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
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
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
Cyclin-dependent kinase 1


(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
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 200n/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))
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
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 390n/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))
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
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 6.33E+3n/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))
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
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 1.08E+4n/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))
BDBM50297115
PNG
((R)-3-(2-Methoxy-phenyl)-10-methyl-9,10,11,12-tetr...)
Show SMILES COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
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 2.73E+3n/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))
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
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 2.04E+3n/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))
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
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 1.09E+4n/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))
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
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 7.92E+3n/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
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))
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
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 180n/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))
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
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 740n/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))
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
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 640n/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