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BDBM50365799 CHEMBL1956686

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1

InChI Key: InChIKey=ZVZVQBGWLHCMII-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50365799   
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))
BDBM50365799
PNG
(CHEMBL1956686)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
Show InChI InChI=1S/C22H23N7O/c1-27-10-12-28(13-11-27)18-4-2-17(3-5-18)26-21-22-24-8-9-29(22)19(15-25-21)16-6-7-23-20(30)14-16/h2-9,14-15H,10-13H2,1H3,(H,23,30)(H,25,26)
NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

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))
BDBM50365799
PNG
(CHEMBL1956686)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
Show InChI InChI=1S/C22H23N7O/c1-27-10-12-28(13-11-27)18-4-2-17(3-5-18)26-21-22-24-8-9-29(22)19(15-25-21)16-6-7-23-20(30)14-16/h2-9,14-15H,10-13H2,1H3,(H,23,30)(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 290n/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