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SMILES: FC(F)(F)c1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1

InChI Key: InChIKey=IUUVGECHVYLVCB-NSIKDUERSA-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 3 hits for monomerid = 218852   
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 alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM218852
PNG
(US9303033, J1, Table 4A, Compound 4 | US9303033, Z...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)11-2-1-3-13(7-11)25-15-8-16(26-12-4-5-12)30-17(28-15)10(9-24-30)6-14-18(31)29-19(32)27-14/h1-3,6-9,12,26H,4-5H2,(H,25,28)(H2,27,29,31,32)/b14-6-
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)
BDBM218852
PNG
(US9303033, J1, Table 4A, Compound 4 | US9303033, Z...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)11-2-1-3-13(7-11)25-15-8-16(26-12-4-5-12)30-17(28-15)10(9-24-30)6-14-18(31)29-19(32)27-14/h1-3,6-9,12,26H,4-5H2,(H,25,28)(H2,27,29,31,32)/b14-6-
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 beta


(Homo sapiens (Human))
BDBM218852
PNG
(US9303033, J1, Table 4A, Compound 4 | US9303033, Z...)
Show SMILES FC(F)(F)c1cccc(Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)11-2-1-3-13(7-11)25-15-8-16(26-12-4-5-12)30-17(28-15)10(9-24-30)6-14-18(31)29-19(32)27-14/h1-3,6-9,12,26H,4-5H2,(H,25,28)(H2,27,29,31,32)/b14-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.48E+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