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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit alpha' and Ligand = 'BDBM165341'   
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))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
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US Patent
n/an/a 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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
PDB

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n/an/a 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))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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US Patent
n/an/a 6n/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))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

n/an/a 6n/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))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM165341
PNG
(US8168651, Compound TABLE 16.7 | US9062043, Table ...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClFN3O2/c20-15-8-11(2-4-16(15)21)23-18-13-5-6-22-9-14(13)12-3-1-10(19(25)26)7-17(12)24-18/h1-9H,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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US Patent
n/an/a 464n/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