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SMILES: COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O

InChI Key: InChIKey=DZYAMRZMUVLFTD-CNHKJKLMSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50355562   
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 Chk1


(Homo sapiens (Human))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 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
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+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))
BDBM50355562
PNG
(CHEMBL1910630)
Show SMILES COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Show InChI InChI=1S/C15H15N7O4S/c1-25-11-6-9(22(23)24)12(26-2)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.58E+3n/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