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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM165365'   
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))
BDBM165365
PNG
(US8168651, Compound TABLE 16.32 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc21
Show InChI InChI=1S/C22H19N3O2/c26-22(27)16-8-9-17-19-14-23-12-10-18(19)21(25-20(17)13-16)24-11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-14H,4,7,11H2,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165365
PNG
(US8168651, Compound TABLE 16.32 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc21
Show InChI InChI=1S/C22H19N3O2/c26-22(27)16-8-9-17-19-14-23-12-10-18(19)21(25-20(17)13-16)24-11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-14H,4,7,11H2,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 16n/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))
BDBM165365
PNG
(US8168651, Compound TABLE 16.32 | US9062043, Table...)
Show SMILES OC(=O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc21
Show InChI InChI=1S/C22H19N3O2/c26-22(27)16-8-9-17-19-14-23-12-10-18(19)21(25-20(17)13-16)24-11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-14H,4,7,11H2,(H,24,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.50E+3n/an/an/an/a7.4n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
The human leukemia Jurkat T-cell line was maintained in RPMI 1640 (Cambrex) supplemented with 10% fetal calf serum and 50 ng/ml Geutamycin. Before tr...


US Patent US9062043 (2015)


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