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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'martinez-gualda' and Initial = 'b'   
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))
BDBM50562897
PNG
(CHEMBL4740761)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)N2CCCC2)c1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562898
PNG
(CHEMBL4778276)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)N2CCOCC2)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562894
PNG
(CHEMBL4762694)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)C(C)C)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562893
PNG
(CHEMBL4764705)
Show SMILES CCC(=O)Nc1cccc(c1)-c1snc2cc(cnc12)-c1ccc(N)c(OC)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562895
PNG
(CHEMBL4794323)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)C2CC2)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562914
PNG
(CHEMBL4745919)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)C=C)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562913
PNG
(CHEMBL4745028)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCC[C@H](CNC(=O)C2CC2)C1 |r|
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562905
PNG
(CHEMBL4800032)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)C2CC2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562896
PNG
(CHEMBL4779229)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1cccc(NC(=O)C2CCCC2)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538885
PNG
(CHEMBL4646895)
Show SMILES COc1cc(ccc1C(N)=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-11-9-24(10-12(2)27-11)20-18-16(23-28-20)6-14(8-22-18)13-4-5-15(19(21)25)17(7-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H2,21,25)/t11-,12+
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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))
BDBM50538901
PNG
(CHEMBL4642467)
Show SMILES COc1ccc(cc1OC)-c1ccc2nsc(N3C[C@H](C)O[C@H](C)C3)c2n1 |r|
Show InChI InChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-6-15(21-19)14-5-8-17(24-3)18(9-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+
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n/an/a 24n/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))
BDBM50562907
PNG
(CHEMBL4752286)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)c2ccccc2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562908
PNG
(CHEMBL4784439)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)N2CCCC2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562906
PNG
(CHEMBL4755134)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)C2CCCC2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
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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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))
BDBM50538879
PNG
(CHEMBL4645917)
Show SMILES COc1cc(ccc1C(O)=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C20H21N3O4S/c1-11-9-23(10-12(2)27-11)19-18-16(22-28-19)6-14(8-21-18)13-4-5-15(20(24)25)17(7-13)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,24,25)/t11-,12+
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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))
BDBM50524284
PNG
(CHEMBL4443342)
Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoBRET tracer 5 binding to NL-fused GAK (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086268
PNG
(CHEMBL3425867)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI InChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562911
PNG
(CHEMBL4790097)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)NC2CC2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562904
PNG
(CHEMBL4760106)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)CC(C)C)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538876
PNG
(CHEMBL4642620)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C21H25N3O4S/c1-12-10-24(11-13(2)28-12)21-19-16(23-29-21)6-15(9-22-19)14-7-17(25-3)20(27-5)18(8-14)26-4/h6-9,12-13H,10-11H2,1-5H3/t12-,13+
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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))
BDBM50538890
PNG
(CHEMBL4636314)
Show SMILES COc1cc(ccc1C(=O)NCc1ccccc1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C27H28N4O3S/c1-17-15-31(16-18(2)34-17)27-25-23(30-35-27)11-21(14-28-25)20-9-10-22(24(12-20)33-3)26(32)29-13-19-7-5-4-6-8-19/h4-12,14,17-18H,13,15-16H2,1-3H3,(H,29,32)/t17-,18+
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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))
BDBM50562901
PNG
(CHEMBL4782363)
Show SMILES CCC(=O)NCC1CCCN(C1)c1snc2cc(cnc12)-c1ccc(N)c(OC)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562910
PNG
(CHEMBL4753946)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNS(=O)(=O)C2CC2)C1
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n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50562915
PNG
(CHEMBL4756485)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)C=C)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538887
PNG
(CHEMBL4643096)
Show SMILES COc1cc(ccc1C(=O)N1CCCC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C24H28N4O3S/c1-15-13-28(14-16(2)31-15)24-22-20(26-32-24)10-18(12-25-22)17-6-7-19(21(11-17)30-3)23(29)27-8-4-5-9-27/h6-7,10-12,15-16H,4-5,8-9,13-14H2,1-3H3/t15-,16+
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n/an/a 83n/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))
BDBM50562909
PNG
(CHEMBL4799769)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)N2CCOCC2)C1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538900
PNG
(CHEMBL4641825)
Show SMILES COc1cccc(c1)-c1ccc2nsc(N3C[C@H](C)O[C@H](C)C3)c2n1 |r|
Show InChI InChI=1S/C19H21N3O2S/c1-12-10-22(11-13(2)24-12)19-18-17(21-25-19)8-7-16(20-18)14-5-4-6-15(9-14)23-3/h4-9,12-13H,10-11H2,1-3H3/t12-,13+
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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))
BDBM50538888
PNG
(CHEMBL4632903)
Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C24H28N4O4S/c1-15-13-28(14-16(2)32-15)24-22-20(26-33-24)10-18(12-25-22)17-4-5-19(21(11-17)30-3)23(29)27-6-8-31-9-7-27/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3/t15-,16+
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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))
BDBM50538897
PNG
(CHEMBL4639991)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18FN3OS/c1-11-9-22(10-12(2)23-11)18-17-16(21-24-18)8-7-15(20-17)13-3-5-14(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
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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))
BDBM50538891
PNG
(CHEMBL4638602)
Show SMILES COc1cc(ccc1NC=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-12-9-24(10-13(2)27-12)20-19-17(23-28-20)6-15(8-21-19)14-4-5-16(22-11-25)18(7-14)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)/t12-,13+
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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))
BDBM50538886
PNG
(CHEMBL4632372)
Show SMILES COc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-13-11-27(12-14(2)30-13)23-21-19(26-31-23)8-16(10-24-21)15-4-7-18(20(9-15)29-3)22(28)25-17-5-6-17/h4,7-10,13-14,17H,5-6,11-12H2,1-3H3,(H,25,28)/t13-,14+
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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))
BDBM50538904
PNG
(CHEMBL4633404)
Show SMILES COc1ccc(cc1OC)-c1ccc2nsc(N3CCOCC3)c2n1
Show InChI InChI=1S/C18H19N3O3S/c1-22-15-6-3-12(11-16(15)23-2)13-4-5-14-17(19-13)18(25-20-14)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3
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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))
BDBM50538905
PNG
(CHEMBL4642058)
Show SMILES COc1cc(OC)cc(c1)-c1ccc2nsc(N3CCOCC3)c2n1
Show InChI InChI=1S/C18H19N3O3S/c1-22-13-9-12(10-14(11-13)23-2)15-3-4-16-17(19-15)18(25-20-16)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
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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))
BDBM50538892
PNG
(CHEMBL4640730)
Show SMILES COc1cc(ccc1NC(C)=O)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C21H24N4O3S/c1-12-10-25(11-13(2)28-12)21-20-18(24-29-21)7-16(9-22-20)15-5-6-17(23-14(3)26)19(8-15)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,26)/t12-,13+
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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))
BDBM50538903
PNG
(CHEMBL4635935)
Show SMILES COc1cccc(c1)-c1ccc2nsc(N3CCOCC3)c2n1
Show InChI InChI=1S/C17H17N3O2S/c1-21-13-4-2-3-12(11-13)14-5-6-15-16(18-14)17(23-19-15)20-7-9-22-10-8-20/h2-6,11H,7-10H2,1H3
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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))
BDBM50086277
PNG
(CHEMBL3425876)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-15(9-21-19)14-5-6-17(24-3)18(8-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+
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n/an/a 136n/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))
BDBM50538893
PNG
(CHEMBL4640641)
Show SMILES COc1cc(ccc1NC(=O)C1CC1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-13-11-27(12-14(2)30-13)23-21-19(26-31-23)8-17(10-24-21)16-6-7-18(20(9-16)29-3)25-22(28)15-4-5-15/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,25,28)/t13-,14+
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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))
BDBM50562902
PNG
(CHEMBL4777592)
Show SMILES CCC(=O)NCCC1CCCN(C1)c1snc2cc(cnc12)-c1ccc(N)c(OC)c1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538899
PNG
(CHEMBL4648802)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C19H21N3OS/c1-12-4-6-15(7-5-12)16-8-9-17-18(20-16)19(24-21-17)22-10-13(2)23-14(3)11-22/h4-9,13-14H,10-11H2,1-3H3/t13-,14+
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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))
BDBM50538898
PNG
(CHEMBL4638387)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H18ClN3OS/c1-11-9-22(10-12(2)23-11)18-17-16(21-24-18)7-6-15(20-17)13-4-3-5-14(19)8-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
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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))
BDBM50562912
PNG
(CHEMBL4747444)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCC[C@@H](CNC(=O)C2CC2)C1 |r|
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50538895
PNG
(CHEMBL4648554)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3OS/c1-12-10-21(11-13(2)22-12)18-17-16(20-23-18)9-8-15(19-17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3/t12-,13+
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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))
BDBM50538896
PNG
(CHEMBL4648514)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1snc2ccc(nc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N3OS/c1-11-9-25(10-12(2)26-11)18-17-16(24-27-18)8-7-15(23-17)13-3-5-14(6-4-13)19(20,21)22/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
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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))
BDBM50538889
PNG
(CHEMBL4644472)
Show SMILES COc1cc(ccc1C(=O)Nc1ccccc1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-16-14-30(15-17(2)33-16)26-24-22(29-34-26)11-19(13-27-24)18-9-10-21(23(12-18)32-3)25(31)28-20-7-5-4-6-8-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)/t16-,17+
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n/an/a>370n/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))
BDBM50538894
PNG
(CHEMBL4635431)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1cnc2c(snc2c1)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-16-14-30(15-17(2)33-16)26-24-22(29-34-26)11-20(13-27-24)19-9-10-21(23(12-19)32-3)28-25(31)18-7-5-4-6-8-18/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)/t16-,17+
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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))
BDBM50538902
PNG
(CHEMBL4637058)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc2nsc(N3C[C@H](C)O[C@H](C)C3)c2n1 |r|
Show InChI InChI=1S/C21H25N3O4S/c1-12-10-24(11-13(2)28-12)21-19-16(23-29-21)7-6-15(22-19)14-8-17(25-3)20(27-5)18(9-14)26-4/h6-9,12-13H,10-11H2,1-5H3/t12-,13+
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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))
BDBM50538883
PNG
(CHEMBL4634338)
Show SMILES COc1cc(Nc2cnc3c(snc3c2)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1OC |r|
Show InChI InChI=1S/C21H26N4O4S/c1-12-10-25(11-13(2)29-12)21-19-16(24-30-21)6-15(9-22-19)23-14-7-17(26-3)20(28-5)18(8-14)27-4/h6-9,12-13,23H,10-11H2,1-5H3/t12-,13+
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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))
BDBM50562917
PNG
(CHEMBL4800155)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)-c1ccc(NC(=O)C=C)cc1
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TBA

Assay Description
Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113158
BindingDB Entry DOI: 10.7270/Q2R78JZ2
More data for this
Ligand-Target Pair
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