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SMILES: Cc1ccc(cc1F)C(=O)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=ZWBGIVRPYAFQIC-CHHVJCJISA-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 = 220053   
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)
BDBM220053
PNG
(US9303033, W47, Table 58A, Compound 20)
Show SMILES Cc1ccc(cc1F)C(=O)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C21H18FN7O3/c1-10-2-3-11(6-14(10)22)19(30)27-16-8-17(24-13-4-5-13)29-18(26-16)12(9-23-29)7-15-20(31)28-21(32)25-15/h2-3,6-9,13,24H,4-5H2,1H3,(H,26,27,30)(H2,25,28,31,32)/b15-7-
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))
BDBM220053
PNG
(US9303033, W47, Table 58A, Compound 20)
Show SMILES Cc1ccc(cc1F)C(=O)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C21H18FN7O3/c1-10-2-3-11(6-14(10)22)19(30)27-16-8-17(24-13-4-5-13)29-18(26-16)12(9-23-29)7-15-20(31)28-21(32)25-15/h2-3,6-9,13,24H,4-5H2,1H3,(H,26,27,30)(H2,25,28,31,32)/b15-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.18E+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