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PubMed code 26925208

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))		BDBM50135473
PNG
(CHEMBL3753095)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(OC3CCCCC3)snc2c1
Show InChI InChI=1S/C20H22N2O3S/c1-23-17-9-8-13(11-18(17)24-2)14-10-16-19(21-12-14)20(26-22-16)25-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135468
PNG
(CHEMBL3752472)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(NC(=O)c3ccccc3)snc2c1
Show InChI InChI=1S/C21H17N3O3S/c1-26-17-9-8-14(11-18(17)27-2)15-10-16-19(22-12-15)21(28-24-16)23-20(25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,25)
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135469
PNG
(CHEMBL3753017)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(OC(C)C)snc2c1
Show InChI InChI=1S/C17H18N2O3S/c1-10(2)22-17-16-13(19-23-17)7-12(9-18-16)11-5-6-14(20-3)15(8-11)21-4/h5-10H,1-4H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135475
PNG
(CHEMBL3753050)
Show SMILES CC(C)Oc1snc2cc(cnc12)-c1ccsc1
Show InChI InChI=1S/C13H12N2OS2/c1-8(2)16-13-12-11(15-18-13)5-10(6-14-12)9-3-4-17-7-9/h3-8H,1-2H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135471
PNG
(CHEMBL3753916)
Show SMILES CCCCOc1snc2cc(cnc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H20N2O3S/c1-4-5-8-23-18-17-14(20-24-18)9-13(11-19-17)12-6-7-15(21-2)16(10-12)22-3/h6-7,9-11H,4-5,8H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135477
PNG
(CHEMBL3751921)
Show SMILES CCOC(=O)N1CCN(CC1)c1snc2cc(cnc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H24N4O4S/c1-4-29-21(26)25-9-7-24(8-10-25)20-19-16(23-30-20)11-15(13-22-19)14-5-6-17(27-2)18(12-14)28-3/h5-6,11-13H,4,7-10H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135474
PNG
(CHEMBL3754728)
Show SMILES CCOc1snc2cc(cnc12)-c1ccsc1
Show InChI InChI=1S/C12H10N2OS2/c1-2-15-12-11-10(14-17-12)5-9(6-13-11)8-3-4-16-7-8/h3-7H,2H2,1H3
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n/an/an/a 220n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135479
PNG
(CHEMBL3753792)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(NC3CCNCC3)snc2c1
Show InChI InChI=1S/C19H22N4O2S/c1-24-16-4-3-12(10-17(16)25-2)13-9-15-18(21-11-13)19(26-23-15)22-14-5-7-20-8-6-14/h3-4,9-11,14,20,22H,5-8H2,1-2H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135480
PNG
(CHEMBL3753335)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-13-6-8-23(9-7-13)20-19-16(22-26-20)10-15(12-21-19)14-4-5-17(24-2)18(11-14)25-3/h4-5,10-13H,6-9H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135470
PNG
(CHEMBL3754235)
Show SMILES CCC(C)Oc1snc2cc(cnc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H20N2O3S/c1-5-11(2)23-18-17-14(20-24-18)8-13(10-19-17)12-6-7-15(21-3)16(9-12)22-4/h6-11H,5H2,1-4H3
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n/an/an/a 74n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135476
PNG
(CHEMBL3754300)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H22N4O3S/c1-13(25)23-6-8-24(9-7-23)20-19-16(22-28-20)10-15(12-21-19)14-4-5-17(26-2)18(11-14)27-3/h4-5,10-12H,6-9H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135472
PNG
(CHEMBL3752816)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(OCCC(C)C)snc2c1
Show InChI InChI=1S/C19H22N2O3S/c1-12(2)7-8-24-19-18-15(21-25-19)9-14(11-20-18)13-5-6-16(22-3)17(10-13)23-4/h5-6,9-12H,7-8H2,1-4H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135467
PNG
(CHEMBL3753527)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(NC(=O)C3CC3)snc2c1
Show InChI InChI=1S/C18H17N3O3S/c1-23-14-6-5-11(8-15(14)24-2)12-7-13-16(19-9-12)18(25-21-13)20-17(22)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,20,22)
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n/an/an/a 1.10E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))		BDBM50135478
PNG
(CHEMBL3753857)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCCN(C)CC1
Show InChI InChI=1S/C20H24N4O2S/c1-23-7-4-8-24(10-9-23)20-19-16(22-27-20)11-15(13-21-19)14-5-6-17(25-2)18(12-14)26-3/h5-6,11-13H,4,7-10H2,1-3H3
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control

Medchemcomm 6: 1666-1672 (2016)


BindingDB Entry DOI: 10.7270/Q20Z754S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%