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BDBM218938 US9303033, S4, Table 13A, Compound 27::US9303033, U7, Table 22A, Compound 15

SMILES: NCc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=ZISUUJMBUDBHAI-APSNUPSMSA-N

Data: 4 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 4 hits for monomerid = 218938   
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 alpha/beta


(Homo sapiens (human)-Rattus norvegicus)
BDBM218938
PNG
(US9303033, S4, Table 13A, Compound 27 | US9303033,...)
Show SMILES NCc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H19N7O2/c21-9-11-2-1-3-12(6-11)15-8-17(23-14-4-5-14)27-18(24-15)13(10-22-27)7-16-19(28)26-20(29)25-16/h1-3,6-8,10,14,23H,4-5,9,21H2,(H2,25,26,28,29)/b16-7-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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 beta (CK2 beta)


(Homo sapiens (Human))
BDBM218938
PNG
(US9303033, S4, Table 13A, Compound 27 | US9303033,...)
Show SMILES NCc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H19N7O2/c21-9-11-2-1-3-12(6-11)15-8-17(23-14-4-5-14)27-18(24-15)13(10-22-27)7-16-19(28)26-20(29)25-16/h1-3,6-8,10,14,23H,4-5,9,21H2,(H2,25,26,28,29)/b16-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5 Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta (CK2 beta)


(Homo sapiens (Human))
BDBM218938
PNG
(US9303033, S4, Table 13A, Compound 27 | US9303033,...)
Show SMILES NCc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H19N7O2/c21-9-11-2-1-3-12(6-11)15-8-17(23-14-4-5-14)27-18(24-15)13(10-22-27)7-16-19(28)26-20(29)25-16/h1-3,6-8,10,14,23H,4-5,9,21H2,(H2,25,26,28,29)/b16-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5 Reaction Buffer (40 m...


US Patent US9303033 (2016)


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


(Homo sapiens (human)-Rattus norvegicus)
BDBM218938
PNG
(US9303033, S4, Table 13A, Compound 27 | US9303033,...)
Show SMILES NCc1cccc(c1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C20H19N7O2/c21-9-11-2-1-3-12(6-11)15-8-17(23-14-4-5-14)27-18(24-15)13(10-22-27)7-16-19(28)26-20(29)25-16/h1-3,6-8,10,14,23H,4-5,9,21H2,(H2,25,26,28,29)/b16-7-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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