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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50380305'   
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))
BDBM50380305
PNG
(CHEMBL2017459)
Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
BindingDB Entry DOI: 10.7270/Q2ZS2XX8
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50380305
PNG
(CHEMBL2017459)
Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...


ACS Med Chem Lett 2: 632-637 (2011)


Article DOI: 10.1021/ml200113y
BindingDB Entry DOI: 10.7270/Q2J967CS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50380305
PNG
(CHEMBL2017459)
Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 800n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measur...


ACS Med Chem Lett 2: 632-637 (2011)


Article DOI: 10.1021/ml200113y
BindingDB Entry DOI: 10.7270/Q2J967CS
More data for this
Ligand-Target Pair