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BDBM50388784 CHEMBL2062575

SMILES: CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12

InChI Key: InChIKey=LGAQZKSRZOPELW-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 = 50388784   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
PDB
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Article
PubMed
n/an/a 2.60E+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
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
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PubMed
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


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))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
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