new BindingDB logo
myBDB logout

BDBM50079468 CHEMBL3417201

SMILES: CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C

InChI Key: InChIKey=BATZQGGRFMDWHJ-UHFFFAOYSA-N

Data: 2 KI

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 = 50079468   
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-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079468
PNG
(CHEMBL3417201)
Show SMILES CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50079468
PNG
(CHEMBL3417201)
Show SMILES CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
Show InChI InChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay


Eur J Med Chem 95: 116-26 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.032
BindingDB Entry DOI: 10.7270/Q28917K3
More data for this
Ligand-Target Pair