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SMILES: CN(C)c1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1

InChI Key: InChIKey=MYRPEVBCFHHODE-YHYXMXQVSA-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 = 218902   
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)
BDBM218902
PNG
(US9303033, I3, Table 12A, Compound 4)
Show SMILES CN(C)c1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)11-6-12(17-9-3-4-9)21-13(18-11)8(7-16-21)5-10-14(22)19-15(23)24-10/h5-7,9,17H,3-4H2,1-2H3,(H,19,22,23)/b10-5-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM218902
PNG
(US9303033, I3, Table 12A, Compound 4)
Show SMILES CN(C)c1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)11-6-12(17-9-3-4-9)21-13(18-11)8(7-16-21)5-10-14(22)19-15(23)24-10/h5-7,9,17H,3-4H2,1-2H3,(H,19,22,23)/b10-5-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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
30 uM ATP: In a final reaction volume of 50 ul, recombinant PIM-1 (1 ng) was incubated with 12 mM MOPS pH 7.0, 0.4 mM EDTA, glycerol 1%, brij 35 0.00...


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))
BDBM218902
PNG
(US9303033, I3, Table 12A, Compound 4)
Show SMILES CN(C)c1cc(NC2CC2)n2ncc(\C=C3/SC(=O)NC3=O)c2n1
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)11-6-12(17-9-3-4-9)21-13(18-11)8(7-16-21)5-10-14(22)19-15(23)24-10/h5-7,9,17H,3-4H2,1-2H3,(H,19,22,23)/b10-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 876n/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