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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 200.2
BDBM30207
Wt: 214.2
BDBM30208
Wt: 276.3
BDBM30209
Wt: 279.1
BDBM30210
Wt: 216.2
BDBM30211
Wt: 230.2
BDBM30212
Wt: 306.3
BDBM30213
Wt: 257.2
BDBM30214
Wt: 243.2
BDBM30215
Wt: 257.2
BDBM30216
Wt: 271.3
BDBM30217
Wt: 311.3
BDBM30219
Wt: 310.3
BDBM30226
Wt: 306.3
BDBM30276
Wt: 306.3
BDBM30283
Displayed 1 to 15 (of 102 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 17 hits in this display   
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM30283
PNG
(indole-based 6-membered lactam, 2)
Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1
Show InChI InChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
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PubMed
n/an/a 730n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30226
PNG
(carboline analog, 38)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccon1
Show InChI InChI=1S/C16H14N4O3/c1-8-7-17-16(22)14-13(8)10-6-9(2-3-11(10)18-14)15(21)19-12-4-5-23-20-12/h2-6,8,18H,7H2,1H3,(H,17,22)(H,19,20,21)
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n/an/a 1.50E+3n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30283
PNG
(indole-based 6-membered lactam, 2)
Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1
Show InChI InChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
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n/an/a 1.70E+3n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 18: 1994-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.119
BindingDB Entry DOI: 10.7270/Q2ZW1J8V
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30276
PNG
(indole-based 6-membered lactam, 1)
Show SMILES O=C(Nc1cccnc1)c1ccc2[nH]c3c(CCNC3=O)c2c1
Show InChI InChI=1S/C17H14N4O2/c22-16(20-11-2-1-6-18-9-11)10-3-4-14-13(8-10)12-5-7-19-17(23)15(12)21-14/h1-4,6,8-9,21H,5,7H2,(H,19,23)(H,20,22)
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n/an/a 2.60E+3n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 18: 1994-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.119
BindingDB Entry DOI: 10.7270/Q2ZW1J8V
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30212
PNG
(carboline analog, 17)
Show SMILES COc1ccc2[nH]c3c(C(C)CNC3=O)c2c1
Show InChI InChI=1S/C13H14N2O2/c1-7-6-14-13(16)12-11(7)9-5-8(17-2)3-4-10(9)15-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
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n/an/a 4.50E+3n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30215
PNG
(carboline analog, 27)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(N)=O
Show InChI InChI=1S/C13H13N3O2/c1-6-5-15-13(18)11-10(6)8-4-7(12(14)17)2-3-9(8)16-11/h2-4,6,16H,5H2,1H3,(H2,14,17)(H,15,18)
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n/an/a 5.40E+3n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM30283
PNG
(indole-based 6-membered lactam, 2)
Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1
Show InChI InChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30216
PNG
(carboline analog, 28)
Show SMILES CNC(=O)c1ccc2[nH]c3c(C(C)CNC3=O)c2c1
Show InChI InChI=1S/C14H15N3O2/c1-7-6-16-14(19)12-11(7)9-5-8(13(18)15-2)3-4-10(9)17-12/h3-5,7,17H,6H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a 1.20E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30210
PNG
(carboline analog, 23)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(Br)cc3c12
Show InChI InChI=1S/C12H11BrN2O/c1-6-5-14-12(16)11-10(6)8-4-7(13)2-3-9(8)15-11/h2-4,6,15H,5H2,1H3,(H,14,16)
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n/an/a 1.50E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30219
PNG
(carboline analog, 31)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H21N3O2/c1-11-10-19-17(22)16-15(11)13-9-12(5-6-14(13)20-16)18(23)21-7-3-2-4-8-21/h5-6,9,11,20H,2-4,7-8,10H2,1H3,(H,19,22)
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n/an/a>2.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30217
PNG
(carboline analog, 29)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)N(C)C
Show InChI InChI=1S/C15H17N3O2/c1-8-7-16-14(19)13-12(8)10-6-9(15(20)18(2)3)4-5-11(10)17-13/h4-6,8,17H,7H2,1-3H3,(H,16,19)
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n/an/a>2.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30213
PNG
(carboline analog, 25)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(OCc4ccccc4)cc3c12
Show InChI InChI=1S/C19H18N2O2/c1-12-10-20-19(22)18-17(12)15-9-14(7-8-16(15)21-18)23-11-13-5-3-2-4-6-13/h2-9,12,21H,10-11H2,1H3,(H,20,22)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30214
PNG
(carboline analog, 26)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(NC(C)=O)cc3c12
Show InChI InChI=1S/C14H15N3O2/c1-7-6-15-14(19)13-12(7)10-5-9(16-8(2)18)3-4-11(10)17-13/h3-5,7,17H,6H2,1-2H3,(H,15,19)(H,16,18)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30209
PNG
(carboline analog, 22)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C18H16N2O/c1-11-10-19-18(21)17-16(11)14-9-13(7-8-15(14)20-17)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,19,21)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30208
PNG
(carboline analog, 21)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(C)cc3c12
Show InChI InChI=1S/C13H14N2O/c1-7-3-4-10-9(5-7)11-8(2)6-14-13(16)12(11)15-10/h3-5,8,15H,6H2,1-2H3,(H,14,16)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30207
PNG
(carboline analog, 20)
Show SMILES CC1CNC(=O)c2[nH]c3ccccc3c12
Show InChI InChI=1S/C12H12N2O/c1-7-6-13-12(15)11-10(7)8-4-2-3-5-9(8)14-11/h2-5,7,14H,6H2,1H3,(H,13,15)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30211
PNG
(carboline analog, 24)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(O)cc3c12
Show InChI InChI=1S/C12H12N2O2/c1-6-5-13-12(16)11-10(6)8-4-7(15)2-3-9(8)14-11/h2-4,6,14-15H,5H2,1H3,(H,13,16)
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n/an/a>4.00E+4n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair