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SMILES: Fc1ccc(C(=O)Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c(F)c1

InChI Key: InChIKey=XGACHZITAXTTLM-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 = 220049   
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)
BDBM220049
PNG
(US9303033, S47, Table 58A, Compound 16)
Show SMILES Fc1ccc(C(=O)Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c(F)c1
Show InChI InChI=1S/C20H15F2N7O3/c21-10-1-4-12(13(22)6-10)18(30)27-15-7-16(24-11-2-3-11)29-17(26-15)9(8-23-29)5-14-19(31)28-20(32)25-14/h1,4-8,11,24H,2-3H2,(H,26,27,30)(H2,25,28,31,32)/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
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM220049
PNG
(US9303033, S47, Table 58A, Compound 16)
Show SMILES Fc1ccc(C(=O)Nc2cc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c(F)c1
Show InChI InChI=1S/C20H15F2N7O3/c21-10-1-4-12(13(22)6-10)18(30)27-15-7-16(24-11-2-3-11)29-17(26-15)9(8-23-29)5-14-19(31)28-20(32)25-14/h1,4-8,11,24H,2-3H2,(H,26,27,30)(H2,25,28,31,32)/b14-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.37E+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