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SMILES: CN1CCCC1CCNC(=O)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=MXCSLCGRMKRTEN-OCKHKDLRSA-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 2 hits for monomerid = 219161   
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)
BDBM219161
PNG
(US9303033, H13, Table 24A, Compound 6)
Show SMILES CN1CCCC1CCNC(=O)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C25H28N8O3S/c1-32-8-2-3-17(32)6-7-26-24(35)20-10-15(13-37-20)18-11-21(28-16-4-5-16)33-22(29-18)14(12-27-33)9-19-23(34)31-25(36)30-19/h9-13,16-17,28H,2-8H2,1H3,(H,26,35)(H2,30,31,34,36)/b19-9-
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))
BDBM219161
PNG
(US9303033, H13, Table 24A, Compound 6)
Show SMILES CN1CCCC1CCNC(=O)c1cc(cs1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C25H28N8O3S/c1-32-8-2-3-17(32)6-7-26-24(35)20-10-15(13-37-20)18-11-21(28-16-4-5-16)33-22(29-18)14(12-27-33)9-19-23(34)31-25(36)30-19/h9-13,16-17,28H,2-8H2,1H3,(H,26,35)(H2,30,31,34,36)/b19-9-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 654n/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