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SMILES: C[C@H](Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1cc(Cl)ccc1F

InChI Key: InChIKey=NJJIFTBJMGOWPK-KCUAXXGYSA-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 = 220062   
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)
BDBM220062
PNG
(US9303033, F48, Table 58A, Compound 29)
Show SMILES C[C@H](Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H19ClFN7O2/c1-10(14-7-12(22)2-5-15(14)23)25-17-8-18(26-13-3-4-13)30-19(28-17)11(9-24-30)6-16-20(31)29-21(32)27-16/h2,5-10,13,26H,3-4H2,1H3,(H,25,28)(H2,27,29,31,32)/b16-6-/t10-/m0/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
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM220062
PNG
(US9303033, F48, Table 58A, Compound 29)
Show SMILES C[C@H](Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1)c1cc(Cl)ccc1F |r|
Show InChI InChI=1S/C21H19ClFN7O2/c1-10(14-7-12(22)2-5-15(14)23)25-17-8-18(26-13-3-4-13)30-19(28-17)11(9-24-30)6-16-20(31)29-21(32)27-16/h2,5-10,13,26H,3-4H2,1H3,(H,25,28)(H2,27,29,31,32)/b16-6-/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.63E+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