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Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'kazemier' and Initial = 'b'   
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))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344696
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
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n/an/an/an/a 620n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344697
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihyd...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C23H21N5O2/c29-22-15-12-17(27-20(15)23(13-26-22)6-9-24-10-7-23)16-5-8-25-21(28-16)19-11-14-3-1-2-4-18(14)30-19/h1-5,8,11-12,24,27H,6-7,9-10,13H2,(H,26,29)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344698
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-1-methyl-5'...)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344699
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-1-ethyl-5',...)
Show SMILES CCN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C25H25N5O2/c1-2-30-11-8-25(9-12-30)15-27-24(31)17-14-19(28-22(17)25)18-7-10-26-23(29-18)21-13-16-5-3-4-6-20(16)32-21/h3-7,10,13-14,28H,2,8-9,11-12,15H2,1H3,(H,27,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344700
PNG
(CHEMBL1779369 | rac-2'-(2-(benzo[d][1,3]dioxol-5-y...)
Show SMILES O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)
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n/an/an/an/a 930n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344701
PNG
(CHEMBL1779370 | rac-2'-(2-(5-methoxypyridin-3-yl)p...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)
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n/an/an/an/a 900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344702
PNG
(CHEMBL1779371 | rac-2'-(2-(6-(3-methoxypropoxy)pyr...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344703
PNG
((S)-2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl...)
Show SMILES O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)/t22-/s2
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344704
PNG
((R)-2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl...)
Show SMILES O=C1NC[C@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)/t22-/s2
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n/an/an/an/a 7.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344705
PNG
((S)-2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)/t21-/s2
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n/an/an/an/a 1.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344706
PNG
((R)-2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)/t21-/s2
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n/an/an/an/a 2.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344707
PNG
((S)-2'-(2-(6-(3-methoxypropoxy)pyridin-3-yl)pyrimi...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)/t24-/s2
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344708
PNG
((R)-2'-(2-(6-(3-methoxypropoxy)pyridin-3-yl)pyrimi...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)/t24-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344709
PNG
(CHEMBL1779487 | rac-2'-(2-(pyridin-3-yl)pyrimidin-...)
Show SMILES O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1/C20H20N6O/c27-19-14-9-16(25-17(14)20(12-24-19)5-2-7-22-11-20)15-4-8-23-18(26-15)13-3-1-6-21-10-13/h1,3-4,6,8-10,22,25H,2,5,7,11-12H2,(H,24,27)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344710
PNG
((S)-2'-(2-(pyridin-3-yl)pyrimidin-4-yl)-5',6'-dihy...)
Show SMILES O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1/C20H20N6O/c27-19-14-9-16(25-17(14)20(12-24-19)5-2-7-22-11-20)15-4-8-23-18(26-15)13-3-1-6-21-10-13/h1,3-4,6,8-10,22,25H,2,5,7,11-12H2,(H,24,27)/t20-/s2
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344711
PNG
((R)-2'-(2-(pyridin-3-yl)pyrimidin-4-yl)-5',6'-dihy...)
Show SMILES O=C1NC[C@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1/C20H20N6O/c27-19-14-9-16(25-17(14)20(12-24-19)5-2-7-22-11-20)15-4-8-23-18(26-15)13-3-1-6-21-10-13/h1,3-4,6,8-10,22,25H,2,5,7,11-12H2,(H,24,27)/t20-/s2
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n/an/an/an/a 5.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured...


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/an/an/a 372n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344696
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
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n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344712
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-2,...)
Show SMILES O=C1NCC2(CCOCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H20N4O4/c27-21-14-10-16(25-19(14)22(11-24-21)4-7-28-8-5-22)15-3-6-23-20(26-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,25H,4-5,7-8,11-12H2,(H,24,27)
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n/an/an/an/a 724n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344697
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihyd...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C23H21N5O2/c29-22-15-12-17(27-20(15)23(13-26-22)6-9-24-10-7-23)16-5-8-25-21(28-16)19-11-14-3-1-2-4-18(14)30-19/h1-5,8,11-12,24,27H,6-7,9-10,13H2,(H,26,29)
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n/an/an/an/a 5.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344698
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-1-methyl-5'...)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30)
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344699
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-1-ethyl-5',...)
Show SMILES CCN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C25H25N5O2/c1-2-30-11-8-25(9-12-30)15-27-24(31)17-14-19(28-22(17)25)18-7-10-26-23(29-18)21-13-16-5-3-4-6-20(16)32-21/h3-7,10,13-14,28H,2,8-9,11-12,15H2,1H3,(H,27,31)
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n/an/an/an/a 59n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344713
PNG
(2'-(2-(3-acetylphenyl)pyrimidin-4-yl)-5',6'-dihydr...)
Show SMILES CC(=O)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H23N5O2/c1-14(29)15-3-2-4-16(11-15)21-25-8-5-18(28-21)19-12-17-20(27-19)23(13-26-22(17)30)6-9-24-10-7-23/h2-5,8,11-12,24,27H,6-7,9-10,13H2,1H3,(H,26,30)
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344714
PNG
(2'-(2-(4-acetylphenyl)pyrimidin-4-yl)-5',6'-dihydr...)
Show SMILES CC(=O)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H23N5O2/c1-14(29)15-2-4-16(5-3-15)21-25-9-6-18(28-21)19-12-17-20(27-19)23(13-26-22(17)30)7-10-24-11-8-23/h2-6,9,12,24,27H,7-8,10-11,13H2,1H3,(H,26,30)
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n/an/an/an/a 9.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344715
PNG
(2'-(2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)p...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C24H25N5O3/c30-23-16-13-18(28-21(16)24(14-27-23)5-8-25-9-6-24)17-4-7-26-22(29-17)15-2-3-19-20(12-15)32-11-1-10-31-19/h2-4,7,12-13,25,28H,1,5-6,8-11,14H2,(H,27,30)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344716
PNG
(2'-(2-(3-isopropylphenyl)pyrimidin-4-yl)-5',6'-dih...)
Show SMILES CC(C)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C24H27N5O/c1-15(2)16-4-3-5-17(12-16)22-26-9-6-19(29-22)20-13-18-21(28-20)24(14-27-23(18)30)7-10-25-11-8-24/h3-6,9,12-13,15,25,28H,7-8,10-11,14H2,1-2H3,(H,27,30)
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n/an/an/an/a 112n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344717
PNG
(2'-(2-(2-fluorophenyl)pyrimidin-4-yl)-5',6'-dihydr...)
Show SMILES Fc1ccccc1-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H20FN5O/c22-15-4-2-1-3-13(15)19-24-8-5-16(27-19)17-11-14-18(26-17)21(12-25-20(14)28)6-9-23-10-7-21/h1-5,8,11,23,26H,6-7,9-10,12H2,(H,25,28)
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n/an/an/an/a 29n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344718
PNG
(2'-(2-(3-fluorophenyl)pyrimidin-4-yl)-5',6'-dihydr...)
Show SMILES Fc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H20FN5O/c22-14-3-1-2-13(10-14)19-24-7-4-16(27-19)17-11-15-18(26-17)21(12-25-20(15)28)5-8-23-9-6-21/h1-4,7,10-11,23,26H,5-6,8-9,12H2,(H,25,28)
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n/an/an/an/a 8.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344719
PNG
(2'-(2-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)-5...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C22H20F3N5O/c23-22(24,25)14-3-1-2-13(10-14)19-27-7-4-16(30-19)17-11-15-18(29-17)21(12-28-20(15)31)5-8-26-9-6-21/h1-4,7,10-11,26,29H,5-6,8-9,12H2,(H,28,31)
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344720
PNG
(2'-(2-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)-5...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C22H20F3N5O/c23-22(24,25)14-3-1-13(2-4-14)19-27-8-5-16(30-19)17-11-15-18(29-17)21(12-28-20(15)31)6-9-26-10-7-21/h1-5,8,11,26,29H,6-7,9-10,12H2,(H,28,31)
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344721
PNG
(2'-(2-(4-tert-butylphenyl)pyrimidin-4-yl)-5',6'-di...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C25H29N5O/c1-24(2,3)17-6-4-16(5-7-17)22-27-11-8-19(30-22)20-14-18-21(29-20)25(15-28-23(18)31)9-12-26-13-10-25/h4-8,11,14,26,29H,9-10,12-13,15H2,1-3H3,(H,28,31)
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n/an/an/an/a 6.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344722
PNG
(2'-(2-(naphthalen-2-yl)pyrimidin-4-yl)-5',6'-dihyd...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N5O/c31-24-19-14-21(29-22(19)25(15-28-24)8-11-26-12-9-25)20-7-10-27-23(30-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13-14,26,29H,8-9,11-12,15H2,(H,28,31)
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n/an/an/an/a 5.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344723
PNG
(2'-(2-(3,5-dichlorophenyl)pyrimidin-4-yl)-5',6'-di...)
Show SMILES Clc1cc(Cl)cc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H19Cl2N5O/c22-13-7-12(8-14(23)9-13)19-25-4-1-16(28-19)17-10-15-18(27-17)21(11-26-20(15)29)2-5-24-6-3-21/h1,4,7-10,24,27H,2-3,5-6,11H2,(H,26,29)
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n/an/an/an/a 4.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344724
PNG
(2'-(2-(quinolin-3-yl)pyrimidin-4-yl)-5',6'-dihydro...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)
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n/an/an/an/a 6.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344725
PNG
(2'-(2-(pyridin-3-yl)pyrimidin-4-yl)-5',6'-dihydros...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1S/C20H20N6O/c27-19-14-10-16(25-17(14)20(12-24-19)4-8-21-9-5-20)15-3-7-23-18(26-15)13-2-1-6-22-11-13/h1-3,6-7,10-11,21,25H,4-5,8-9,12H2,(H,24,27)
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344726
PNG
(2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5',6'...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H22N6O2/c1-29-14-8-13(10-23-11-14)19-24-5-2-16(27-19)17-9-15-18(26-17)21(12-25-20(15)28)3-6-22-7-4-21/h2,5,8-11,22,26H,3-4,6-7,12H2,1H3,(H,25,28)
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344727
PNG
(2'-(2-(6-aminopyridin-3-yl)pyrimidin-4-yl)-5',6'-d...)
Show SMILES Nc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C20H21N7O/c21-16-2-1-12(10-24-16)18-23-6-3-14(27-18)15-9-13-17(26-15)20(11-25-19(13)28)4-7-22-8-5-20/h1-3,6,9-10,22,26H,4-5,7-8,11H2,(H2,21,24)(H,25,28)
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344728
PNG
(CHEMBL1779365 | N-(5-(4-(4'-oxo-1',4',5',6'-tetrah...)
Show SMILES CCC(=O)Nc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H25N7O2/c1-2-19(31)30-18-4-3-14(12-26-18)21-25-8-5-16(29-21)17-11-15-20(28-17)23(13-27-22(15)32)6-9-24-10-7-23/h3-5,8,11-12,24,28H,2,6-7,9-10,13H2,1H3,(H,27,32)(H,26,30,31)
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n/an/an/an/a 3.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344729
PNG
(2'-(2'-amino-2,5'-bipyrimidin-4-yl)-5',6'-dihydros...)
Show SMILES Nc1ncc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C19H20N8O/c20-18-23-8-11(9-24-18)16-22-4-1-13(27-16)14-7-12-15(26-14)19(10-25-17(12)28)2-5-21-6-3-19/h1,4,7-9,21,26H,2-3,5-6,10H2,(H,25,28)(H2,20,23,24)
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344730
PNG
(2'-(2'-(cyclopentylamino)-2,5'-bipyrimidin-4-yl)-5...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc(NC2CCCC2)nc1
Show InChI InChI=1S/C24H28N8O/c33-22-17-11-19(31-20(17)24(14-29-22)6-9-25-10-7-24)18-5-8-26-21(32-18)15-12-27-23(28-13-15)30-16-3-1-2-4-16/h5,8,11-13,16,25,31H,1-4,6-7,9-10,14H2,(H,29,33)(H,27,28,30)
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344731
PNG
(CHEMBL1779368 | rac-2'-(2-(benzofuran-2-yl)pyrimid...)
Show SMILES O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1/C23H21N5O2/c29-22-15-11-17(27-20(15)23(13-26-22)7-3-8-24-12-23)16-6-9-25-21(28-16)19-10-14-4-1-2-5-18(14)30-19/h1-2,4-6,9-11,24,27H,3,7-8,12-13H2,(H,26,29)
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344700
PNG
(CHEMBL1779369 | rac-2'-(2-(benzo[d][1,3]dioxol-5-y...)
Show SMILES O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344701
PNG
(CHEMBL1779370 | rac-2'-(2-(5-methoxypyridin-3-yl)p...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344702
PNG
(CHEMBL1779371 | rac-2'-(2-(6-(3-methoxypropoxy)pyr...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344703
PNG
((S)-2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl...)
Show SMILES O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)/t22-/s2
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n/an/an/an/a 7.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344704
PNG
((R)-2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl...)
Show SMILES O=C1NC[C@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)/t22-/s2
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n/an/an/an/a 91n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344705
PNG
((S)-2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)/t21-/s2
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n/an/an/an/a 9.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344706
PNG
((R)-2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)/t21-/s2
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n/an/an/an/a 126n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50344707
PNG
((S)-2'-(2-(6-(3-methoxypropoxy)pyridin-3-yl)pyrimi...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O
Show InChI InChI=1/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)/t24-/s2
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 21: 3823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.016
BindingDB Entry DOI: 10.7270/Q2FT8MCB
More data for this
Ligand-Target Pair
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