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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cyclin-G-associated kinase' and Ligand = 'BDBM50288800'   
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))
BDBM50288800
PNG
(CHEMBL4172550)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
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n/an/a 39n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 residues) expressed in insect cells incubated for 1 hr by Lanthascreen...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115188
BindingDB Entry DOI: 10.7270/Q2TM7FNT
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50288800
PNG
(CHEMBL4172550)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
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n/an/an/a 89n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00302
BindingDB Entry DOI: 10.7270/Q20Z779V
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50288800
PNG
(CHEMBL4172550)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
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n/an/an/a 89n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50288800
PNG
(CHEMBL4172550)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
PDB
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n/an/an/a 89n/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged human GAK expressed in Escherichia coli BL21 using immobilised ligand incubated for 1 hr by quantitative PCR


J Med Chem 61: 6178-6192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00613
BindingDB Entry DOI: 10.7270/Q21J9DB9
More data for this
Ligand-Target Pair