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SMILES: COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O

InChI Key: InChIKey=DXRNLURMSWHDFV-FXBPXSCXSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50355587   
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
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50355587
PNG
(CHEMBL1910595)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H16N8O4S/c1-7-21-22-10(6-18-20-14(16)17)13(19-15(22)28-7)8-4-12(27-3)9(23(24)25)5-11(8)26-2/h4-6H,1-3H3,(H4,16,17,20)/b18-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355587
PNG
(CHEMBL1910595)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H16N8O4S/c1-7-21-22-10(6-18-20-14(16)17)13(19-15(22)28-7)8-4-12(27-3)9(23(24)25)5-11(8)26-2/h4-6H,1-3H3,(H4,16,17,20)/b18-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair