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Target
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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'Cyclin-G-associated kinase' and Ligand = 'BDBM50086260'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cyclin-G-associated kinase
(Homo sapiens (Human))
BDBM50086260
(CHEMBL3425846)
Show SMILES
COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI
InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
52
n/a
n/a
n/a
n/a
n/a
KU Leuven
Curated by
ChEMBL
Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis
J Med Chem
58:
3393
-
410
(2015)
Article DOI:
10.1021/jm501759m
BindingDB Entry DOI:
10.7270/Q2XD13D4
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase
(Homo sapiens (Human))
BDBM50086260
(CHEMBL3425846)
Show SMILES
COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI
InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
52
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00969
BindingDB Entry DOI:
10.7270/Q2K35ZSQ
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase
(Homo sapiens (Human))
BDBM50086260
(CHEMBL3425846)
Show SMILES
COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI
InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
52
n/a
n/a
n/a
n/a
n/a
KU Leuven
Curated by
ChEMBL
Assay Description
Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...
Eur J Med Chem
163:
256
-
265
(2019)
Article DOI:
10.1016/j.ejmech.2018.11.065
BindingDB Entry DOI:
10.7270/Q20K2CV0
More data for this
Ligand-Target Pair
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