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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 = 'BDBM50511398'   
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))
BDBM50511398
PNG
(CHEMBL4582326)
Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
580n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged GAK kinase domain (12 to 347 residues) (unknown origin) ...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50511398
PNG
(CHEMBL4582326)
Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Inhibition of tracer K5 binding to N-terminal nano luciferase-fused GAK (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by Na...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair