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SMILES: C[C@H](Nc1nc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VWAAMJVETWDLFF-SOOGHKCXSA-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 = 219435   
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))
BDBM219435
PNG
(US9303033, F24, Table 37A, Compound 109)
Show SMILES C[C@H](Nc1nc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N8O2/c1-10(11-2-4-13(5-3-11)21(22,23)24)26-18-29-16-12(8-15-17(33)30-20(34)28-15)9-25-32(16)19(31-18)27-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H2,26,27,29,31)(H2,28,30,33,34)/b15-8-/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 314n/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 subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219435
PNG
(US9303033, F24, Table 37A, Compound 109)
Show SMILES C[C@H](Nc1nc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N8O2/c1-10(11-2-4-13(5-3-11)21(22,23)24)26-18-29-16-12(8-15-17(33)30-20(34)28-15)9-25-32(16)19(31-18)27-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H2,26,27,29,31)(H2,28,30,33,34)/b15-8-/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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