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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM165454'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165454
PNG
(US8168651, Compound TABLE 16.122 | US9062043, Tabl...)
Show SMILES CC(C)Nc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-9(2)20-18-19-8-13-12-6-3-10(17(24)25)7-14(12)22-16(15(13)23-18)21-11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q21N857Q
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165454
PNG
(US8168651, Compound TABLE 16.122 | US9062043, Tabl...)
Show SMILES CC(C)Nc1ncc2c3ccc(cc3nc(NC3CC3)c2n1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-9(2)20-18-19-8-13-12-6-3-10(17(24)25)7-14(12)22-16(15(13)23-18)21-11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (A...


US Patent US9062043 (2015)


BindingDB Entry DOI: 10.7270/Q20G3HWF
More data for this
Ligand-Target Pair