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SMILES: C[C@@H](Nc1cc(Nc2cccc(Cl)c2)nc2c(\C=C3/NC(=O)NC3=O)cnn12)C1CC1

InChI Key: InChIKey=ZSWJGFKESRKFDS-CRZGJZTJSA-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 = 218993   
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))
BDBM218993
PNG
(US9303033, U6, Table 19A, Compound 20)
Show SMILES C[C@@H](Nc1cc(Nc2cccc(Cl)c2)nc2c(\C=C3/NC(=O)NC3=O)cnn12)C1CC1 |r|
Show InChI InChI=1S/C21H20ClN7O2/c1-11(12-5-6-12)24-18-9-17(25-15-4-2-3-14(22)8-15)27-19-13(10-23-29(18)19)7-16-20(30)28-21(31)26-16/h2-4,7-12,24H,5-6H2,1H3,(H,25,27)(H2,26,28,30,31)/b16-7-/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 515n/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)
BDBM218993
PNG
(US9303033, U6, Table 19A, Compound 20)
Show SMILES C[C@@H](Nc1cc(Nc2cccc(Cl)c2)nc2c(\C=C3/NC(=O)NC3=O)cnn12)C1CC1 |r|
Show InChI InChI=1S/C21H20ClN7O2/c1-11(12-5-6-12)24-18-9-17(25-15-4-2-3-14(22)8-15)27-19-13(10-23-29(18)19)7-16-20(30)28-21(31)26-16/h2-4,7-12,24H,5-6H2,1H3,(H,25,27)(H2,26,28,30,31)/b16-7-/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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