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BDBM50388785 CHEMBL2062577

SMILES: CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

InChI Key: InChIKey=LEBFBYRNCKITGV-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50388785   
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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as ...


ACS Med Chem Lett 4: 800-5 (2013)


Article DOI: 10.1021/ml400197u
BindingDB Entry DOI: 10.7270/Q20R9QT2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha in human HCT116 cells assessed as decrease in AKT phosphorylation at S129 residue after 3 to 24 hrs by Western blot analysis


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ...


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50388785
PNG
(CHEMBL2062577)
Show SMILES CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C21H19N7O/c1-13(29)26(2)17-6-3-14-7-8-27(18(14)9-17)19-10-20(24-16-4-5-16)28-21(25-19)15(11-22)12-23-28/h3,6-10,12,16,24H,4-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDK2


ACS Med Chem Lett 3: 278-283 (2012)


Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS
More data for this
Ligand-Target Pair