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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 = 'BDBM165418'   
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))
BDBM165418
PNG
(US8168651, Compound TABLE 16.86 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3ccccc3)ncc21
Show InChI InChI=1S/C21H17N5O2/c27-20(28)12-6-9-15-16-11-22-21(24-13-4-2-1-3-5-13)26-18(16)19(23-14-7-8-14)25-17(15)10-12/h1-6,9-11,14H,7-8H2,(H,23,25)(H,27,28)(H,22,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 26n/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))
BDBM165418
PNG
(US8168651, Compound TABLE 16.86 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3ccccc3)ncc21
Show InChI InChI=1S/C21H17N5O2/c27-20(28)12-6-9-15-16-11-22-21(24-13-4-2-1-3-5-13)26-18(16)19(23-14-7-8-14)25-17(15)10-12/h1-6,9-11,14H,7-8H2,(H,23,25)(H,27,28)(H,22,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/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