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SMILES: O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(NS(=O)(=O)C2CC2)c1

InChI Key: InChIKey=QUJJOZLQCNXQBZ-NVMNQCDNSA-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 3 hits for monomerid = 218946   
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)
BDBM218946
PNG
(US9303033, A5, Table 13A, Compound 35 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H21N7O4S/c30-21-18(26-22(31)27-21)9-13-11-23-29-19(24-14-4-5-14)10-17(25-20(13)29)12-2-1-3-15(8-12)28-34(32,33)16-6-7-16/h1-3,8-11,14,16,24,28H,4-7H2,(H2,26,27,30,31)/b18-9-
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))
BDBM218946
PNG
(US9303033, A5, Table 13A, Compound 35 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H21N7O4S/c30-21-18(26-22(31)27-21)9-13-11-23-29-19(24-14-4-5-14)10-17(25-20(13)29)12-2-1-3-15(8-12)28-34(32,33)16-6-7-16/h1-3,8-11,14,16,24,28H,4-7H2,(H2,26,27,30,31)/b18-9-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 867n/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
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM218946
PNG
(US9303033, A5, Table 13A, Compound 35 | US9303033,...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(nc12)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H21N7O4S/c30-21-18(26-22(31)27-21)9-13-11-23-29-19(24-14-4-5-14)10-17(25-20(13)29)12-2-1-3-15(8-12)28-34(32,33)16-6-7-16/h1-3,8-11,14,16,24,28H,4-7H2,(H2,26,27,30,31)/b18-9-
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