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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50362169   
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))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation at Ser78 in LPS-stimulated human THP-1 cells pre-incubated for 60 mins before LPS treatment measured...


Bioorg Med Chem Lett 22: 1068-72 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.113
BindingDB Entry DOI: 10.7270/Q23J3DDJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/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