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SMILES: Nc1cc(Nc2cc(Cl)ccc2F)nc2c(\C=C3/CC(=O)NC3=O)cnn12

InChI Key: InChIKey=JQZXCMCTEKIIGS-FPYGCLRLSA-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 = 220065   
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)
BDBM220065
PNG
(US9303033, I48, Table 58A, Compound 32)
Show SMILES Nc1cc(Nc2cc(Cl)ccc2F)nc2c(\C=C3/CC(=O)NC3=O)cnn12
Show InChI InChI=1S/C17H12ClFN6O2/c18-10-1-2-11(19)12(5-10)22-14-6-13(20)25-16(23-14)9(7-21-25)3-8-4-15(26)24-17(8)27/h1-3,5-7H,4,20H2,(H,22,23)(H,24,26,27)/b8-3+
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))
BDBM220065
PNG
(US9303033, I48, Table 58A, Compound 32)
Show SMILES Nc1cc(Nc2cc(Cl)ccc2F)nc2c(\C=C3/CC(=O)NC3=O)cnn12
Show InChI InChI=1S/C17H12ClFN6O2/c18-10-1-2-11(19)12(5-10)22-14-6-13(20)25-16(23-14)9(7-21-25)3-8-4-15(26)24-17(8)27/h1-3,5-7H,4,20H2,(H,22,23)(H,24,26,27)/b8-3+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.69E+3n/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