BindingDB logo
myBDB logout

BDBM50365800 CHEMBL1956687

SMILES: C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1

InChI Key: InChIKey=WSPYBPVYCFYIRM-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 = 50365800   
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))
BDBM50365800
PNG
(CHEMBL1956687)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.61E+3n/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)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365800
PNG
(CHEMBL1956687)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 816n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


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

More data for this
Ligand-Target Pair