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SMILES: FC(F)(F)c1cc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)ccc1Cl

InChI Key: InChIKey=UTDYMTRMVYOYIR-RZNTYIFUSA-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 2 hits for monomerid = 218850   
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))
BDBM218850
PNG
(US9303033, H1, Table 4A, Compound 2)
Show SMILES FC(F)(F)c1cc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)ccc1Cl
Show InChI InChI=1S/C20H15ClF3N7O2/c21-13-4-3-11(6-12(13)20(22,23)24)26-15-7-16(27-10-1-2-10)31-17(29-15)9(8-25-31)5-14-18(32)30-19(33)28-14/h3-8,10,27H,1-2H2,(H,26,29)(H2,28,30,32,33)/b14-5-
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 alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM218850
PNG
(US9303033, H1, Table 4A, Compound 2)
Show SMILES FC(F)(F)c1cc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)ccc1Cl
Show InChI InChI=1S/C20H15ClF3N7O2/c21-13-4-3-11(6-12(13)20(22,23)24)26-15-7-16(27-10-1-2-10)31-17(29-15)9(8-25-31)5-14-18(32)30-19(33)28-14/h3-8,10,27H,1-2H2,(H,26,29)(H2,28,30,32,33)/b14-5-
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