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BDBM219294 US9303033, M18, Table 33A, Compound 110

SMILES: O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)nc(NN3CCCCC3)nc12

InChI Key: InChIKey=RFHPUZLQSOKRTC-WQLSENKSSA-N

Data: 2 IC50

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 = 219294   
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 alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM219294
PNG
(US9303033, M18, Table 33A, Compound 110)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)nc(NN3CCCCC3)nc12
Show InChI InChI=1S/C17H21N9O2/c27-14-12(20-17(28)22-14)8-10-9-18-26-13(10)21-15(23-16(26)19-11-4-5-11)24-25-6-2-1-3-7-25/h8-9,11H,1-7H2,(H2,19,21,23,24)(H2,20,22,27,28)/b12-8-
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 (CK2 beta)


(Homo sapiens (Human))
BDBM219294
PNG
(US9303033, M18, Table 33A, Compound 110)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)nc(NN3CCCCC3)nc12
Show InChI InChI=1S/C17H21N9O2/c27-14-12(20-17(28)22-14)8-10-9-18-26-13(10)21-15(23-16(26)19-11-4-5-11)24-25-6-2-1-3-7-25/h8-9,11H,1-7H2,(H2,19,21,23,24)(H2,20,22,27,28)/b12-8-
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.50E+3n/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