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SMILES: O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3ccc(cc3)N3CCCCC3)nc12

InChI Key: InChIKey=VABIAMOMEHWDTJ-UNOMPAQXSA-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 = 220061   
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)
BDBM220061
PNG
(US9303033, E48, Table 58A, Compound 28)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3ccc(cc3)N3CCCCC3)nc12
Show InChI InChI=1S/C24H26N8O2/c33-23-19(28-24(34)30-23)12-15-14-25-32-21(27-17-4-5-17)13-20(29-22(15)32)26-16-6-8-18(9-7-16)31-10-2-1-3-11-31/h6-9,12-14,17,27H,1-5,10-11H2,(H,26,29)(H2,28,30,33,34)/b19-12-
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))
BDBM220061
PNG
(US9303033, E48, Table 58A, Compound 28)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3ccc(cc3)N3CCCCC3)nc12
Show InChI InChI=1S/C24H26N8O2/c33-23-19(28-24(34)30-23)12-15-14-25-32-21(27-17-4-5-17)13-20(29-22(15)32)26-16-6-8-18(9-7-16)31-10-2-1-3-11-31/h6-9,12-14,17,27H,1-5,10-11H2,(H,26,29)(H2,28,30,33,34)/b19-12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+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