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

InChI Key: InChIKey=VBPMXGNBEBYHJI-GDNBJRDFSA-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 = 220031   
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)
BDBM220031
PNG
(US9303033, A47, Table 57A, Compound 7)
Show SMILES CC1(CC1)C(=O)N1CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C22H26N8O3/c1-22(4-5-22)20(32)29-8-6-28(7-9-29)16-11-17(24-14-2-3-14)30-18(26-16)13(12-23-30)10-15-19(31)27-21(33)25-15/h10-12,14,24H,2-9H2,1H3,(H2,25,27,31,33)/b15-10-
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))
BDBM220031
PNG
(US9303033, A47, Table 57A, Compound 7)
Show SMILES CC1(CC1)C(=O)N1CCN(CC1)c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C22H26N8O3/c1-22(4-5-22)20(32)29-8-6-28(7-9-29)16-11-17(24-14-2-3-14)30-18(26-16)13(12-23-30)10-15-19(31)27-21(33)25-15/h10-12,14,24H,2-9H2,1H3,(H2,25,27,31,33)/b15-10-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.07E+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