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BDBM50365788 CHEMBL1956567

SMILES: O=c1cc(cc[nH]1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12

InChI Key: InChIKey=YFJPSLNOMOYYLM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50365788   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50365788
PNG
(CHEMBL1956567)
Show SMILES O=c1cc(cc[nH]1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
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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/a 871n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.077
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50365788
PNG
(CHEMBL1956567)
Show SMILES O=c1cc(cc[nH]1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.077
More data for this
Ligand-Target Pair