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SMILES: F[C@@H]1CCN(C1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=WYQRMIAXGHCXIP-CGYDICSFSA-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 = 218884   
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))
BDBM218884
PNG
(US9303033, P2, Table 9A, Compound 1)
Show SMILES F[C@@H]1CCN(C1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r|
Show InChI InChI=1S/C17H18FN7O2/c18-10-3-4-24(8-10)13-6-14(20-11-1-2-11)25-15(22-13)9(7-19-25)5-12-16(26)23-17(27)21-12/h5-7,10-11,20H,1-4,8H2,(H2,21,23,26,27)/b12-5-/t10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 708n/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)
BDBM218884
PNG
(US9303033, P2, Table 9A, Compound 1)
Show SMILES F[C@@H]1CCN(C1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r|
Show InChI InChI=1S/C17H18FN7O2/c18-10-3-4-24(8-10)13-6-14(20-11-1-2-11)25-15(22-13)9(7-19-25)5-12-16(26)23-17(27)21-12/h5-7,10-11,20H,1-4,8H2,(H2,21,23,26,27)/b12-5-/t10-/m1/s1
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