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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM165518'   
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))
BDBM165518
PNG
(US8168651, Compound TABLE 17.53 | US9062043, Table...)
Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 358n/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))
BDBM165518
PNG
(US8168651, Compound TABLE 17.53 | US9062043, Table...)
Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 358n/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))
BDBM165518
PNG
(US8168651, Compound TABLE 17.53 | US9062043, Table...)
Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.00E+4n/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))
BDBM165518
PNG
(US8168651, Compound TABLE 17.53 | US9062043, Table...)
Show SMILES COc1ccc(OC)c(Nc2nc3cc(ccc3c3sccc23)-c2nnn[nH]2)c1
Show InChI InChI=1S/C20H16N6O2S/c1-27-12-4-6-17(28-2)16(10-12)22-20-14-7-8-29-18(14)13-5-3-11(9-15(13)21-20)19-23-25-26-24-19/h3-10H,1-2H3,(H,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+4n/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