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SMILES: Clc1cccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1

InChI Key: InChIKey=BFYIETOTLUQMJQ-UUASQNMZSA-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 = 218862   
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))
BDBM218862
PNG
(US9303033, T1, Table 6A, Compound 1)
Show SMILES Clc1cccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H18ClN7O2/c21-13-2-1-3-14(7-13)24-16-8-17(22-9-11-4-5-11)28-18(26-16)12(10-23-28)6-15-19(29)27-20(30)25-15/h1-3,6-8,10-11,22H,4-5,9H2,(H,24,26)(H2,25,27,29,30)/b15-6-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 509n/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)
BDBM218862
PNG
(US9303033, T1, Table 6A, Compound 1)
Show SMILES Clc1cccc(Nc2cc(NCC3CC3)n3ncc(\C=C4/NC(=O)NC4=O)c3n2)c1
Show InChI InChI=1S/C20H18ClN7O2/c21-13-2-1-3-14(7-13)24-16-8-17(22-9-11-4-5-11)28-18(26-16)12(10-23-28)6-15-19(29)27-20(30)25-15/h1-3,6-8,10-11,22H,4-5,9H2,(H,24,26)(H2,25,27,29,30)/b15-6-
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