BindingDB logo
myBDB logout

BDBM50365792 CHEMBL1956571

SMILES: NC(=O)c1cnc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12

InChI Key: InChIKey=FDNGEFYYIKFSHM-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 = 50365792   
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))
BDBM50365792
PNG
(CHEMBL1956571)
Show SMILES NC(=O)c1cnc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
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 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))
BDBM50365792
PNG
(CHEMBL1956571)
Show SMILES NC(=O)c1cnc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.82E+3n/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