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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50360574'   
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))
BDBM50360574
PNG
(CHEMBL1933168)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-3-1-14(2-4-16)21(30)29-19-11-15(5-8-26-19)18-12-17-20(28-18)23(13-27-22(17)31)6-9-25-10-7-23/h1-5,8,11-12,25,28H,6-7,9-10,13H2,(H,27,31)(H,26,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Bioorg Med Chem Lett 22: 613-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.071
BindingDB Entry DOI: 10.7270/Q2RN389G
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50360574
PNG
(CHEMBL1933168)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-3-1-14(2-4-16)21(30)29-19-11-15(5-8-26-19)18-12-17-20(28-18)23(13-27-22(17)31)6-9-25-10-7-23/h1-5,8,11-12,25,28H,6-7,9-10,13H2,(H,27,31)(H,26,29,30)
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 3.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...


Bioorg Med Chem Lett 22: 613-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.071
BindingDB Entry DOI: 10.7270/Q2RN389G
More data for this
Ligand-Target Pair