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SMILES: FC(F)(F)C1(CC1)C(=O)N1CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=BXFLCLIUJGTFTB-ZROIWOOFSA-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 = 220027   
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)
BDBM220027
PNG
(US9303033, W46, Table 57A, Compound 3)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C22H23F3N8O3/c23-22(24,25)21(3-4-21)19(35)32-7-5-31(6-8-32)15-10-16(27-13-1-2-13)33-17(29-15)12(11-26-33)9-14-18(34)30-20(36)28-14/h9-11,13,27H,1-8H2,(H2,28,30,34,36)/b14-9-
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))
BDBM220027
PNG
(US9303033, W46, Table 57A, Compound 3)
Show SMILES FC(F)(F)C1(CC1)C(=O)N1CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C22H23F3N8O3/c23-22(24,25)21(3-4-21)19(35)32-7-5-31(6-8-32)15-10-16(27-13-1-2-13)33-17(29-15)12(11-26-33)9-14-18(34)30-20(36)28-14/h9-11,13,27H,1-8H2,(H2,28,30,34,36)/b14-9-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.04E+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