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SMILES: CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1

InChI Key: InChIKey=XXMCDIDYNPVKBF-MOSHPQCFSA-N

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 = 219752   
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 beta


(Homo sapiens (Human))
BDBM219752
PNG
(US9303033, B48, Table 58A, Compound 25 | US9303033...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C25H29N9O3/c1-15(2)32-9-11-33(12-10-32)18-5-7-19(8-6-18)37-25-29-21-16(13-20-22(35)30-24(36)28-20)14-26-34(21)23(31-25)27-17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,27,29,31)(H2,28,30,35,36)/b20-13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.52E+4n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 mM MOPS pH ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219752
PNG
(US9303033, B48, Table 58A, Compound 25 | US9303033...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C25H29N9O3/c1-15(2)32-9-11-33(12-10-32)18-5-7-19(8-6-18)37-25-29-21-16(13-20-22(35)30-24(36)28-20)14-26-34(21)23(31-25)27-17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,27,29,31)(H2,28,30,35,36)/b20-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM219752
PNG
(US9303033, B48, Table 58A, Compound 25 | US9303033...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C25H29N9O3/c1-15(2)32-9-11-33(12-10-32)18-5-7-19(8-6-18)37-25-29-21-16(13-20-22(35)30-24(36)28-20)14-26-34(21)23(31-25)27-17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,27,29,31)(H2,28,30,35,36)/b20-13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 mM MOPS pH ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219752
PNG
(US9303033, B48, Table 58A, Compound 25 | US9303033...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C25H29N9O3/c1-15(2)32-9-11-33(12-10-32)18-5-7-19(8-6-18)37-25-29-21-16(13-20-22(35)30-24(36)28-20)14-26-34(21)23(31-25)27-17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,27,29,31)(H2,28,30,35,36)/b20-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219752
PNG
(US9303033, B48, Table 58A, Compound 25 | US9303033...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C25H29N9O3/c1-15(2)32-9-11-33(12-10-32)18-5-7-19(8-6-18)37-25-29-21-16(13-20-22(35)30-24(36)28-20)14-26-34(21)23(31-25)27-17-3-4-17/h5-8,13-15,17H,3-4,9-12H2,1-2H3,(H,27,29,31)(H2,28,30,35,36)/b20-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair