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BDBM219696 US9303033, G34, Table 39A, Compound 3

SMILES: Fc1cccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1

InChI Key: InChIKey=ZGQGFPWEKAYONQ-MLPAPPSSSA-N

Data: 2 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 2 hits for monomerid = 219696   
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 (CK2 beta)


(Homo sapiens (Human))
BDBM219696
PNG
(US9303033, G34, Table 39A, Compound 3)
Show SMILES Fc1cccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C18H14FN7O3/c19-10-2-1-3-12(7-10)29-18-23-14-9(6-13-15(27)24-17(28)22-13)8-20-26(14)16(25-18)21-11-4-5-11/h1-3,6-8,11H,4-5H2,(H,21,23,25)(H2,22,24,27,28)/b13-6-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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 alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219696
PNG
(US9303033, G34, Table 39A, Compound 3)
Show SMILES Fc1cccc(Oc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C18H14FN7O3/c19-10-2-1-3-12(7-10)29-18-23-14-9(6-13-15(27)24-17(28)22-13)8-20-26(14)16(25-18)21-11-4-5-11/h1-3,6-8,11H,4-5H2,(H,21,23,25)(H2,22,24,27,28)/b13-6-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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