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PubMed code 20594847

Compile data set for download or QSAR
Found 62 hits of Enzyme Inhibition Constant Data   
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
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348545
PNG
(CHEMBL1801384)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-8-6-20-16-29-21(15-23(20)26(22)30-24(25)9-10-28-27)7-5-18-1-3-19(4-2-18)17-31-11-13-33-14-12-31/h1-8,15-16,30H,9-14,17H2,(H,28,32)/b7-5+
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348537
PNG
(CHEMBL1801376)
Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348534
PNG
(CHEMBL1801373)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
Show InChI InChI=1S/C21H15N3O/c25-21-19-16-9-7-14-11-22-15(8-6-13-4-2-1-3-5-13)10-17(14)20(16)24-18(19)12-23-21/h1-11,24H,12H2,(H,23,25)/b8-6+
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348546
PNG
(CHEMBL1801385)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C28H28N4O2/c33-28-26-23-7-5-21-18-30-22(17-24(21)27(23)31-25(26)8-10-29-28)6-4-19-2-1-3-20(16-19)9-11-32-12-14-34-15-13-32/h1-7,16-18,31H,8-15H2,(H,29,33)/b6-4+
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348543
PNG
(CHEMBL1801382)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O3/c1-27-4-5-28-14-6-13(8-22-10-14)17-7-16-12(9-23-17)2-3-15-19-18(25-20(15)16)11-24-21(19)26/h2-3,6-10,25H,4-5,11H2,1H3,(H,24,26)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348542
PNG
(CHEMBL1801381)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348535
PNG
(CHEMBL1801374)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C26H24N4O2/c31-26-24-21-8-6-19-14-27-20(13-22(19)25(21)29-23(24)15-28-26)7-5-17-1-3-18(4-2-17)16-30-9-11-32-12-10-30/h1-8,13-14,29H,9-12,15-16H2,(H,28,31)/b7-5+
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348534
PNG
(CHEMBL1801373)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
Show InChI InChI=1S/C21H15N3O/c25-21-19-16-9-7-14-11-22-15(8-6-13-4-2-1-3-5-13)10-17(14)20(16)24-18(19)12-23-21/h1-11,24H,12H2,(H,23,25)/b8-6+
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348524
PNG
(CHEMBL1801388)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348536
PNG
(CHEMBL1801375)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-7-5-20-16-28-21(15-23(20)26(22)30-24(25)17-29-27)6-4-18-2-1-3-19(14-18)8-9-31-10-12-33-13-11-31/h1-7,14-16,30H,8-13,17H2,(H,29,32)/b6-4+
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348541
PNG
(CHEMBL1801380)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348495
PNG
(CHEMBL1614995)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348530
PNG
(CHEMBL1801313)
Show SMILES NCc1[nH]c2c(ccc3cnc(\C=C\c4ccccc4)cc23)c1C(O)=O
Show InChI InChI=1S/C21H17N3O2/c22-11-18-19(21(25)26)16-9-7-14-12-23-15(10-17(14)20(16)24-18)8-6-13-4-2-1-3-5-13/h1-10,12,24H,11,22H2,(H,25,26)/b8-6+
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348547
PNG
(CHEMBL1801386)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H16FN3O2/c1-27-18-5-3-11(8-15(18)22)17-9-14-12(10-24-17)2-4-13-19-16(25-20(13)14)6-7-23-21(19)26/h2-5,8-10,25H,6-7H2,1H3,(H,23,26)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348548
PNG
(CHEMBL1801387)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H26N4O3/c31-26-24-20-5-4-18-16-28-23(15-21(18)25(20)29-22(24)6-7-27-26)17-2-1-3-19(14-17)33-13-10-30-8-11-32-12-9-30/h1-5,14-16,29H,6-13H2,(H,27,31)
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348535
PNG
(CHEMBL1801374)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C26H24N4O2/c31-26-24-21-8-6-19-14-27-20(13-22(19)25(21)29-23(24)15-28-26)7-5-17-1-3-18(4-2-17)16-30-9-11-32-12-10-30/h1-8,13-14,29H,9-12,15-16H2,(H,28,31)/b7-5+
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348533
PNG
(CHEMBL1801316)
Show SMILES COc1ccc(cc1)-c1cc2c3[nH]c4CN(C)NC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O2/c1-25-11-18-19(21(26)24-25)15-8-5-13-10-22-17(9-16(13)20(15)23-18)12-3-6-14(27-2)7-4-12/h3-10,23H,11H2,1-2H3,(H,24,26)
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n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348532
PNG
(CHEMBL1801315)
Show SMILES OC1=NOCc2[nH]c3c(ccc4cnc(C=Cc5ccccc5)cc34)c12
Show InChI InChI=1S/C21H15N3O2/c25-21-19-16-9-7-14-11-22-15(8-6-13-4-2-1-3-5-13)10-17(14)20(16)23-18(19)12-26-24-21/h1-11,23H,12H2,(H,24,25)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348538
PNG
(CHEMBL1801377)
Show SMILES COc1ccc(cc1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C20H15N3O2/c1-25-13-5-2-11(3-6-13)16-8-15-12(9-21-16)4-7-14-18-17(23-19(14)15)10-22-20(18)24/h2-9,23H,10H2,1H3,(H,22,24)
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348539
PNG
(CHEMBL1801378)
Show SMILES Fc1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C19H12FN3O/c20-14-4-2-1-3-11(14)15-7-13-10(8-21-15)5-6-12-17-16(23-18(12)13)9-22-19(17)24/h1-8,23H,9H2,(H,22,24)
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348541
PNG
(CHEMBL1801380)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348536
PNG
(CHEMBL1801375)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-7-5-20-16-28-21(15-23(20)26(22)30-24(25)17-29-27)6-4-18-2-1-3-19(14-18)8-9-31-10-12-33-13-11-31/h1-7,14-16,30H,8-13,17H2,(H,29,32)/b6-4+
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348543
PNG
(CHEMBL1801382)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O3/c1-27-4-5-28-14-6-13(8-22-10-14)17-7-16-12(9-23-17)2-3-15-19-18(25-20(15)16)11-24-21(19)26/h2-3,6-10,25H,4-5,11H2,1H3,(H,24,26)
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n/an/a 38n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348531
PNG
(CHEMBL1801314)
Show SMILES CNCc1[nH]c2c(ccc3cnc(\C=C\c4ccccc4)cc23)c1C(O)=O
Show InChI InChI=1S/C22H19N3O2/c1-23-13-19-20(22(26)27)17-10-8-15-12-24-16(11-18(15)21(17)25-19)9-7-14-5-3-2-4-6-14/h2-12,23,25H,13H2,1H3,(H,26,27)/b9-7+
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348550
PNG
(CHEMBL1801091)
Show SMILES COc1ccc(cc1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C22H19N3O2/c1-27-15-7-4-13(5-8-15)19-11-17-14(12-24-19)6-9-16-20-18(25-21(16)17)3-2-10-23-22(20)26/h4-9,11-12,25H,2-3,10H2,1H3,(H,23,26)
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n/an/a 72n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348537
PNG
(CHEMBL1801376)
Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)
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n/an/a 73n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348542
PNG
(CHEMBL1801381)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
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n/an/a 75n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348546
PNG
(CHEMBL1801385)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C28H28N4O2/c33-28-26-23-7-5-21-18-30-22(17-24(21)27(23)31-25(26)8-10-29-28)6-4-19-2-1-3-20(16-19)9-11-32-12-14-34-15-13-32/h1-7,16-18,31H,8-15H2,(H,29,33)/b6-4+
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348528
PNG
(CHEMBL1801089)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H27N5O3/c32-26-24-20-4-3-17-15-29-23(13-21(17)25(20)30-22(24)2-1-5-28-26)18-12-19(16-27-14-18)34-11-8-31-6-9-33-10-7-31/h3-4,12-16,30H,1-2,5-11H2,(H,28,32)
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348549
PNG
(CHEMBL1801390)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
Show InChI InChI=1S/C23H19N3O/c27-23-21-18-11-9-16-14-25-17(10-8-15-5-2-1-3-6-15)13-19(16)22(18)26-20(21)7-4-12-24-23/h1-3,5-6,8-11,13-14,26H,4,7,12H2,(H,24,27)/b10-8+
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348539
PNG
(CHEMBL1801378)
Show SMILES Fc1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C19H12FN3O/c20-14-4-2-1-3-11(14)15-7-13-10(8-21-15)5-6-12-17-16(23-18(12)13)9-22-19(17)24/h1-8,23H,9H2,(H,22,24)
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348529
PNG
(CHEMBL1801090)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C23H22N4O3/c1-29-7-8-30-16-9-15(11-24-13-16)20-10-18-14(12-26-20)4-5-17-21-19(27-22(17)18)3-2-6-25-23(21)28/h4-5,9-13,27H,2-3,6-8H2,1H3,(H,25,28)
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n/an/a 96n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348549
PNG
(CHEMBL1801390)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
Show InChI InChI=1S/C23H19N3O/c27-23-21-18-11-9-16-14-25-17(10-8-15-5-2-1-3-6-15)13-19(16)22(18)26-20(21)7-4-12-24-23/h1-3,5-6,8-11,13-14,26H,4,7,12H2,(H,24,27)/b10-8+
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n/an/a 116n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348525
PNG
(CHEMBL1801389)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H15FN2O2/c1-26-19-7-3-11(8-15(19)22)17-9-14-12(10-23-17)2-4-13-20-16(24-21(13)14)5-6-18(20)25/h2-4,7-10,24H,5-6H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348551
PNG
(CHEMBL1801088)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3ccccc3OCCN3CCOCC3)c12
Show InChI InChI=1S/C27H28N4O3/c32-27-25-20-8-7-18-17-29-23(16-21(18)26(20)30-22(25)5-3-9-28-27)19-4-1-2-6-24(19)34-15-12-31-10-13-33-14-11-31/h1-2,4,6-8,16-17,30H,3,5,9-15H2,(H,28,32)
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n/an/a 167n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348527
PNG
(CHEMBL1801392)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C29H30N4O2/c34-29-27-24-9-7-22-19-31-23(18-25(22)28(24)32-26(27)5-2-11-30-29)8-6-20-3-1-4-21(17-20)10-12-33-13-15-35-16-14-33/h1,3-4,6-9,17-19,32H,2,5,10-16H2,(H,30,34)/b8-6+
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n/an/a 172n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348545
PNG
(CHEMBL1801384)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-8-6-20-16-29-21(15-23(20)26(22)30-24(25)9-10-28-27)7-5-18-1-3-19(4-2-18)17-31-11-13-33-14-12-31/h1-8,15-16,30H,9-14,17H2,(H,28,32)/b7-5+
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n/an/a 198n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348526
PNG
(CHEMBL1801391)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C28H28N4O2/c33-28-26-23-10-8-21-17-30-22(16-24(21)27(23)31-25(26)2-1-11-29-28)9-7-19-3-5-20(6-4-19)18-32-12-14-34-15-13-32/h3-10,16-17,31H,1-2,11-15,18H2,(H,29,33)/b9-7+
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n/an/a 253n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348548
PNG
(CHEMBL1801387)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H26N4O3/c31-26-24-20-5-4-18-16-28-23(15-21(18)25(20)29-22(24)6-7-27-26)17-2-1-3-19(14-17)33-13-10-30-8-11-32-12-9-30/h1-5,14-16,29H,6-13H2,(H,27,31)
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n/an/a 269n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348524
PNG
(CHEMBL1801388)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
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PubMed
n/an/a 418n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348547
PNG
(CHEMBL1801386)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H16FN3O2/c1-27-18-5-3-11(8-15(18)22)17-9-14-12(10-24-17)2-4-13-19-16(25-20(13)14)6-7-23-21(19)26/h2-5,8-10,25H,6-7H2,1H3,(H,23,26)
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n/an/a 500n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348533
PNG
(CHEMBL1801316)
Show SMILES COc1ccc(cc1)-c1cc2c3[nH]c4CN(C)NC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O2/c1-25-11-18-19(21(26)24-25)15-8-5-13-10-22-17(9-16(13)20(15)23-18)12-3-6-14(27-2)7-4-12/h3-10,23H,11H2,1-2H3,(H,24,26)
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n/an/a 547n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348495
PNG
(CHEMBL1614995)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
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n/an/a 649n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348495
PNG
(CHEMBL1614995)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C22H20N4O3/c1-28-6-7-29-15-8-14(10-23-12-15)19-9-17-13(11-25-19)2-3-16-20-18(26-21(16)17)4-5-24-22(20)27/h2-3,8-12,26H,4-7H2,1H3,(H,24,27)
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n/an/a 700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348527
PNG
(CHEMBL1801392)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
Show InChI InChI=1S/C29H30N4O2/c34-29-27-24-9-7-22-19-31-23(18-25(22)28(24)32-26(27)5-2-11-30-29)8-6-20-3-1-4-21(17-20)10-12-33-13-15-35-16-14-33/h1,3-4,6-9,17-19,32H,2,5,10-16H2,(H,30,34)/b8-6+
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n/an/a 700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348533
PNG
(CHEMBL1801316)
Show SMILES COc1ccc(cc1)-c1cc2c3[nH]c4CN(C)NC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O2/c1-25-11-18-19(21(26)24-25)15-8-5-13-10-22-17(9-16(13)20(15)23-18)12-3-6-14(27-2)7-4-12/h3-10,23H,11H2,1-2H3,(H,24,26)
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n/an/a 875n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348540
PNG
(CHEMBL1801379)
Show SMILES FC(F)(F)c1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C20H12F3N3O/c21-20(22,23)14-4-2-1-3-11(14)15-7-13-10(8-24-15)5-6-12-17-16(26-18(12)13)9-25-19(17)27/h1-8,26H,9H2,(H,25,27)
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n/an/a 900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348526
PNG
(CHEMBL1801391)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
Show InChI InChI=1S/C28H28N4O2/c33-28-26-23-10-8-21-17-30-22(16-24(21)27(23)31-25(26)2-1-11-29-28)9-7-19-3-5-20(6-4-19)18-32-12-14-34-15-13-32/h3-10,16-17,31H,1-2,11-15,18H2,(H,29,33)/b9-7+
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n/an/a 980n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348544
PNG
(CHEMBL1801383)
Show SMILES CN1Cc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c2C1=O
Show InChI InChI=1S/C22H17N3O/c1-25-13-19-20(22(25)26)17-10-8-15-12-23-16(11-18(15)21(17)24-19)9-7-14-5-3-2-4-6-14/h2-12,24H,13H2,1H3/b9-7+
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n/an/a 1.19E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348541
PNG
(CHEMBL1801380)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H24N4O3/c30-25-23-19-5-4-17-14-26-21(13-20(17)24(19)28-22(23)15-27-25)16-2-1-3-18(12-16)32-11-8-29-6-9-31-10-7-29/h1-5,12-14,28H,6-11,15H2,(H,27,30)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348548
PNG
(CHEMBL1801387)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H26N4O3/c31-26-24-20-5-4-18-16-28-23(15-21(18)25(20)29-22(24)6-7-27-26)17-2-1-3-19(14-17)33-13-10-30-8-11-32-12-9-30/h1-5,14-16,29H,6-13H2,(H,27,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348547
PNG
(CHEMBL1801386)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H16FN3O2/c1-27-18-5-3-11(8-15(18)22)17-9-14-12(10-24-17)2-4-13-19-16(25-20(13)14)6-7-23-21(19)26/h2-5,8-10,25H,6-7H2,1H3,(H,23,26)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348543
PNG
(CHEMBL1801382)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H18N4O3/c1-27-4-5-28-14-6-13(8-22-10-14)17-7-16-12(9-23-17)2-3-15-19-18(25-20(15)16)11-24-21(19)26/h2-3,6-10,25H,4-5,11H2,1H3,(H,24,26)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348525
PNG
(CHEMBL1801389)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H15FN2O2/c1-26-19-7-3-11(8-15(19)22)17-9-14-12(10-23-17)2-4-13-20-16(24-21(13)14)5-6-18(20)25/h2-4,7-10,24H,5-6H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348524
PNG
(CHEMBL1801388)
Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348529
PNG
(CHEMBL1801090)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C23H22N4O3/c1-29-7-8-30-16-9-15(11-24-13-16)20-10-18-14(12-26-20)4-5-17-21-19(27-22(17)18)3-2-6-25-23(21)28/h4-5,9-13,27H,2-3,6-8H2,1H3,(H,25,28)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50348528
PNG
(CHEMBL1801089)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H27N5O3/c32-26-24-20-4-3-17-15-29-23(13-21(17)25(20)30-22(24)2-1-5-28-26)18-12-19(16-27-14-18)34-11-8-31-6-9-33-10-7-31/h3-4,12-16,30H,1-2,5-11H2,(H,28,32)
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n/an/a 3.17E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348539
PNG
(CHEMBL1801378)
Show SMILES Fc1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C19H12FN3O/c20-14-4-2-1-3-11(14)15-7-13-10(8-21-15)5-6-12-17-16(23-18(12)13)9-22-19(17)24/h1-8,23H,9H2,(H,22,24)
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n/an/a 5.08E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348525
PNG
(CHEMBL1801389)
Show SMILES COc1ccc(cc1F)-c1cc2c3[nH]c4CCC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C21H15FN2O2/c1-26-19-7-3-11(8-15(19)22)17-9-14-12(10-23-17)2-4-13-20-16(24-21(13)14)5-6-18(20)25/h2-4,7-10,24H,5-6H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348529
PNG
(CHEMBL1801090)
Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
Show InChI InChI=1S/C23H22N4O3/c1-29-7-8-30-16-9-15(11-24-13-16)20-10-18-14(12-26-20)4-5-17-21-19(27-22(17)18)3-2-6-25-23(21)28/h4-5,9-13,27H,2-3,6-8H2,1H3,(H,25,28)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348542
PNG
(CHEMBL1801381)
Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)
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n/an/a 9.33E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50348528
PNG
(CHEMBL1801089)
Show SMILES O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
Show InChI InChI=1S/C26H27N5O3/c32-26-24-20-4-3-17-15-29-23(13-21(17)25(20)30-22(24)2-1-5-28-26)18-12-19(16-27-14-18)34-11-8-31-6-9-33-10-7-31/h3-4,12-16,30H,1-2,5-11H2,(H,28,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis


Bioorg Med Chem Lett 20: 4715-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.024
BindingDB Entry DOI: 10.7270/Q2765FNN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%