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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 = 'BDBM50511373'   
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))
BDBM50511373
PNG
(CHEMBL4571548)
Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/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))
BDBM50511373
PNG
(CHEMBL4571548)
Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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