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SMILES: COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O

InChI Key: InChIKey=HGDAOZHBPJQRAA-LSFURLLWSA-O

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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 = 50355555   
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))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
PDB
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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))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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 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))
BDBM50355555
PNG
(CHEMBL1910614)
Show SMILES COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
Show InChI InChI=1S/C19H16N7O4S/c1-29-14-8-12(26(27)28)15(30-2)7-10(14)17-13(9-22-24-18(20)21)25-11-5-3-4-6-16(11)31-19(25)23-17/h3-9H,1-2H3,(H3-,20,21,24)/q-1/p+1/b22-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/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