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SMILES: Clc1ccc(COc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1

InChI Key: InChIKey=YTWUMEOPIJMKEC-AUWJEWJLSA-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 4 hits for monomerid = 220057   
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))
BDBM220057
PNG
(US9303033, A48, Table 58A, Compound 24 | US9303033...)
Show SMILES Clc1ccc(COc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C19H16ClN7O3/c20-12-3-1-10(2-4-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,22,24,26)(H2,23,25,28,29)/b14-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.28E+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)
BDBM220057
PNG
(US9303033, A48, Table 58A, Compound 24 | US9303033...)
Show SMILES Clc1ccc(COc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C19H16ClN7O3/c20-12-3-1-10(2-4-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,22,24,26)(H2,23,25,28,29)/b14-7-
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)
BDBM220057
PNG
(US9303033, A48, Table 58A, Compound 24 | US9303033...)
Show SMILES Clc1ccc(COc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C19H16ClN7O3/c20-12-3-1-10(2-4-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,22,24,26)(H2,23,25,28,29)/b14-7-
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))
BDBM220057
PNG
(US9303033, A48, Table 58A, Compound 24 | US9303033...)
Show SMILES Clc1ccc(COc2nc(NC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)cc1
Show InChI InChI=1S/C19H16ClN7O3/c20-12-3-1-10(2-4-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,22,24,26)(H2,23,25,28,29)/b14-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.14E+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