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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-G-associated kinase' and Ligand = 'BDBM50290836'   
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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50290836
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...)
Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50290836
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...)
Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 240n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair