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PubMed code 24903887

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 [1-337]


(Homo sapiens (Human))
BDBM152738
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Beijing University of Technology



Assay Description
The atomic co-ordinates of CK2α were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules ...


Chem Biol Drug Des 85: 189-200 (2015)


Article DOI: 10.1111/cbdd.12372
BindingDB Entry DOI: 10.7270/Q2XK8D8F
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha [1-337]


(Homo sapiens (Human))
BDBM152739
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES NC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O/c20-13-4-1-11(2-5-13)18-15-7-8-22-10-16(15)14-6-3-12(19(21)24)9-17(14)23-18/h1-10H,(H2,21,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Beijing University of Technology



Assay Description
The atomic co-ordinates of CK2α were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules ...


Chem Biol Drug Des 85: 189-200 (2015)


Article DOI: 10.1111/cbdd.12372
BindingDB Entry DOI: 10.7270/Q2XK8D8F
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha [1-337]


(Homo sapiens (Human))
BDBM152741
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-7-carb...)
Show SMILES OC(=O)c1cccc2c3cnccc3c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11ClN2O2/c20-12-6-4-11(5-7-12)17-14-8-9-21-10-16(14)13-2-1-3-15(19(23)24)18(13)22-17/h1-10H,(H,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



Beijing University of Technology



Assay Description
The atomic co-ordinates of CK2α were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules ...


Chem Biol Drug Des 85: 189-200 (2015)


Article DOI: 10.1111/cbdd.12372
BindingDB Entry DOI: 10.7270/Q2XK8D8F
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha [1-337]


(Homo sapiens (Human))
BDBM152740
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES Clc1ccc(cc1)-c1nc2cc(ccc2c2cnccc12)C#N
Show InChI InChI=1S/C19H10ClN3/c20-14-4-2-13(3-5-14)19-16-7-8-22-11-17(16)15-6-1-12(10-21)9-18(15)23-19/h1-9,11H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



Beijing University of Technology



Assay Description
The atomic co-ordinates of CK2α were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules ...


Chem Biol Drug Des 85: 189-200 (2015)


Article DOI: 10.1111/cbdd.12372
BindingDB Entry DOI: 10.7270/Q2XK8D8F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%