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SMILES: O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12

InChI Key: InChIKey=SSKYEIYRCQPTEB-MFOYZWKCSA-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 = 220063   
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 beta


(Homo sapiens (Human))
BDBM220063
PNG
(BDBM220095 | US9303033, G48, Table 58A, Compound 3...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12
Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)9-13-12-24-31-19(26-14-5-6-14)11-18(28-20(13)31)25-15-3-1-4-16(10-15)30-8-2-7-23-30/h1-4,7-12,14,26H,5-6H2,(H,25,28)(H2,27,29,32,33)/b17-9-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.73E+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
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM220063
PNG
(BDBM220095 | US9303033, G48, Table 58A, Compound 3...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12
Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)9-13-12-24-31-19(26-14-5-6-14)11-18(28-20(13)31)25-15-3-1-4-16(10-15)30-8-2-7-23-30/h1-4,7-12,14,26H,5-6H2,(H,25,28)(H2,27,29,32,33)/b17-9-
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 alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM220063
PNG
(BDBM220095 | US9303033, G48, Table 58A, Compound 3...)
Show SMILES O=C1NC(=O)\C(N1)=C\c1cnn2c(NC3CC3)cc(Nc3cccc(c3)-n3cccn3)nc12
Show InChI InChI=1S/C22H19N9O2/c32-21-17(27-22(33)29-21)9-13-12-24-31-19(26-14-5-6-14)11-18(28-20(13)31)25-15-3-1-4-16(10-15)30-8-2-7-23-30/h1-4,7-12,14,26H,5-6H2,(H,25,28)(H2,27,29,32,33)/b17-9-
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