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BDBM50365786 CHEMBL1956565

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12

InChI Key: InChIKey=KMCXTLBXZUPRRA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50365786   
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))
BDBM50365786
PNG
(CHEMBL1956565)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C22H22N6O3S/c23-32(29,30)19-7-1-16(2-8-19)20-15-25-21(22-24-9-10-28(20)22)26-17-3-5-18(6-4-17)27-11-13-31-14-12-27/h1-10,15H,11-14H2,(H,25,26)(H2,23,29,30)
NCI pathway
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KEGG

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Article
PubMed
n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2CR5TT6
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50365786
PNG
(CHEMBL1956565)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C22H22N6O3S/c23-32(29,30)19-7-1-16(2-8-19)20-15-25-21(22-24-9-10-28(20)22)26-17-3-5-18(6-4-17)27-11-13-31-14-12-27/h1-10,15H,11-14H2,(H,25,26)(H2,23,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2CR5TT6
More data for this
Ligand-Target Pair