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PubMed code 29670707

Compile data set for download or QSAR
Found 6 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))		BDBM50465455
PNG
(CHEMBL4282514)
Show SMILES COc1ccc(cc1F)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F
Show InChI InChI=1S/C24H22F2N4O2/c1-30-10-24(11-30)9-28-23(31)18-14-5-3-13-8-27-20(12-4-6-16(32-2)15(25)7-12)19(26)17(13)21(14)29-22(18)24/h4,6-8,29H,3,5,9-11H2,1-2H3,(H,28,31)
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n/an/a<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 TR-FRET assay

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50465453
PNG
(CHEMBL4277929)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(c(F)c4-c3[nH]c21)-c1cccc(F)c1
Show InChI InChI=1S/C23H20F2N4O/c1-29-10-23(11-29)9-27-22(30)17-15-6-5-13-8-26-19(12-3-2-4-14(24)7-12)18(25)16(13)20(15)28-21(17)23/h2-4,7-8,28H,5-6,9-11H2,1H3,(H,27,30)
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n/an/a<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 TR-FRET assay

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50465454
PNG
(CHEMBL4293121)
Show SMILES COc1ccc(cn1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F
Show InChI InChI=1S/C23H22FN5O2/c1-29-10-23(11-29)9-27-22(30)17-14-5-3-12-7-26-19(13-4-6-15(31-2)25-8-13)18(24)16(12)20(14)28-21(17)23/h4,6-8,28H,3,5,9-11H2,1-2H3,(H,27,30)
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n/an/a<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 TR-FRET assay

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50465453
PNG
(CHEMBL4277929)
Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(c(F)c4-c3[nH]c21)-c1cccc(F)c1
Show InChI InChI=1S/C23H20F2N4O/c1-29-10-23(11-29)9-27-22(30)17-15-6-5-13-8-26-19(12-3-2-4-14(24)7-12)18(25)16(13)20(15)28-21(17)23/h2-4,7-8,28H,5-6,9-11H2,1H3,(H,27,30)
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n/an/a 370n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in anisomycin-stimulated human THP1 cells assessed as reduction in hsp27 phosphorylation at Ser78 by FACS analysis

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50465455
PNG
(CHEMBL4282514)
Show SMILES COc1ccc(cc1F)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F
Show InChI InChI=1S/C24H22F2N4O2/c1-30-10-24(11-30)9-28-23(31)18-14-5-3-13-8-27-20(12-4-6-16(32-2)15(25)7-12)19(26)17(13)21(14)29-22(18)24/h4,6-8,29H,3,5,9-11H2,1-2H3,(H,28,31)
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n/an/a 370n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in anisomycin-stimulated human THP1 cells assessed as reduction in hsp27 phosphorylation at Ser78 by FACS analysis

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50465454
PNG
(CHEMBL4293121)
Show SMILES COc1ccc(cn1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F
Show InChI InChI=1S/C23H22FN5O2/c1-29-10-23(11-29)9-27-22(30)17-14-5-3-12-7-26-19(13-4-6-15(31-2)25-8-13)18(24)16(12)20(14)28-21(17)23/h4,6-8,28H,3,5,9-11H2,1-2H3,(H,27,30)
PDB
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PC sid
UniChem
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PubMed
n/an/a 480n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MK2 in anisomycin-stimulated human THP1 cells assessed as reduction in hsp27 phosphorylation at Ser78 by FACS analysis

ACS Med Chem Lett 9: 392-396 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00098
BindingDB Entry DOI: 10.7270/Q2VX0K5Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%