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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'einav' and Initial = 's'   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50273541
PNG
(CHEMBL516312 | N-(5-(4-cyanophenyl)-1H-pyrrolo[2,3...)
Show SMILES O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
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 541n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated AAK1 (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50273541
PNG
(CHEMBL516312 | N-(5-(4-cyanophenyl)-1H-pyrrolo[2,3...)
Show SMILES O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
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 1.75E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated GAK (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))		BDBM50273541
PNG
(CHEMBL516312 | N-(5-(4-cyanophenyl)-1H-pyrrolo[2,3...)
Show SMILES O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
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 4.40E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BMP2K (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assa...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 16


(Homo sapiens (Human))		BDBM50273541
PNG
(CHEMBL516312 | N-(5-(4-cyanophenyl)-1H-pyrrolo[2,3...)
Show SMILES O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)
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 1.19E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated STK16 (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assa...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502299
PNG
(CHEMBL4544854)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc2ccnn12 |r|
Show InChI InChI=1S/C20H24F2N4O/c1-13(2)11-20(3,23)12-27-17-5-4-14(10-15(17)19(21)22)16-6-8-24-18-7-9-25-26(16)18/h4-10,13,19H,11-12,23H2,1-3H3/t20-/m0/s1
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KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311155
PNG
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1
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KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321107
PNG
((S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...)
Show SMILES CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r|
Show InChI InChI=1S/C22H29N3O4/c1-5-27-21(26)25-20-9-18-17-7-6-16(29-13-22(4,23)10-14(2)3)8-15(17)12-28-19(18)11-24-20/h6-9,11,14H,5,10,12-13,23H2,1-4H3,(H,24,25,26)/t22-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM335593
PNG
(3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...)
Show SMILES CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
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n/an/a 3.30n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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n/an/a 3.80n/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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM279457
PNG
((R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-ben...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C18H18N6/c1-10(2)7-13(19)18-23-14-4-3-11(8-15(14)24-18)16-12-5-6-20-17(12)22-9-21-16/h3-6,8-10,13H,7,19H2,1-2H3/b16-11+/t13-/m1/s1
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KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502295
PNG
(CHEMBL4439128)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2c1
Show InChI InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502283
PNG
(CHEMBL4541962)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C21H18N4O3/c1-27-18-6-5-13(9-19(18)28-2)15-8-16-17(12-24-20(16)23-11-15)25-21(26)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 4.30n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502285
PNG
(CHEMBL4543869)
Show SMILES COc1cc2nc(nc(C#N)c2cc1-c1cnco1)C(N)CC(C)C
Show InChI InChI=1S/C18H19N5O2/c1-10(2)4-13(20)18-22-14-6-16(24-3)12(17-8-21-9-25-17)5-11(14)15(7-19)23-18/h5-6,8-10,13H,4,20H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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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n/an/a 7.70n/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))		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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502308
PNG
(CHEMBL4442812)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2n1
Show InChI InChI=1S/C21H16N4O2/c1-26-18-8-7-15(10-19(18)27-2)17-13-24-21-20(25-17)16(12-23-21)6-5-14-4-3-9-22-11-14/h3-4,7-13H,1-2H3,(H,23,24)
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KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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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n/an/a 11n/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))		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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n/an/a 14n/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))		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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502304
PNG
(CHEMBL4483684)
Show SMILES Cc1cccc(c1)-c1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1
Show InChI InChI=1S/C20H16N4O/c1-13-4-2-5-14(8-13)16-9-17-18(12-23-19(17)22-11-16)24-20(25)15-6-3-7-21-10-15/h2-12H,1H3,(H,22,23)(H,24,25)
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KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50445242
PNG
(CHEMBL3102941)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
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KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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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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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n/an/a 39n/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))		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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 47n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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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n/an/a 51n/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		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
PDB
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n/an/a 62n/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))		BDBM50562904
PNG
(CHEMBL4760106)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNC(=O)CC(C)C)C1
PDB
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n/an/a 69n/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))		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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502305
PNG
(CHEMBL4443908)
Show SMILES COc1ccc(cc1)C(=O)Nc1c[nH]c2ncc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H21N3O4/c1-28-17-7-4-14(5-8-17)23(27)26-19-13-25-22-18(19)10-16(12-24-22)15-6-9-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(H,24,25)(H,26,27)
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KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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))		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))		BDBM50562910
PNG
(CHEMBL4753946)
Show SMILES COc1cc(ccc1N)-c1cnc2c(snc2c1)N1CCCC(CNS(=O)(=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))		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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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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n/an/a 85n/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))		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))		BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 105n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of GAK (unknown origin)

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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502289
PNG
(CHEMBL4444527)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N3O3/c1-27-19-9-8-15(11-20(19)28-2)16-10-17-18(13-24-21(17)23-12-16)25-22(26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,24)(H,25,26)
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KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
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
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