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BDBM50079472 CHEMBL3417197

SMILES: COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O

InChI Key: InChIKey=NRKJPTFVGVSLQX-UHFFFAOYSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50079472   
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 1


(Homo sapiens (human))
BDBM50079472
PNG
(CHEMBL3417197)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
Show InChI InChI=1S/C18H20N4O4S/c1-10-7-12(17(23)22(8-10)5-6-25-3)21-15-13-11(2)14(18(24)26-4)27-16(13)20-9-19-15/h7-9H,5-6H2,1-4H3,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50079472
PNG
(CHEMBL3417197)
Show SMILES COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
Show InChI InChI=1S/C18H20N4O4S/c1-10-7-12(17(23)22(8-10)5-6-25-3)21-15-13-11(2)14(18(24)26-4)27-16(13)20-9-19-15/h7-9H,5-6H2,1-4H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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