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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50011272   
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))
BDBM50546116
PNG
(CHEMBL4797973)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(ccc2c1)-c1ccncc1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to GAK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
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 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546115
PNG
(CHEMBL4781252)
Show SMILES COc1cccc(Nc2ccnc3ccc(cc23)C(F)(F)F)c1
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n/an/a 380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524280
PNG
(CHEMBL4446630)
Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524288
PNG
(CHEMBL4518437)
Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524287
PNG
(CHEMBL4462395)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GAK (unknown origin) by in-cell pulse based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537137
PNG
(CHEMBL4586588)
Show SMILES COc1cc(Nc2ccnc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C18H18N2O3/c1-21-16-10-12(11-17(22-2)18(16)23-3)20-15-8-9-19-14-7-5-4-6-13(14)15/h4-11H,1-3H3,(H,19,20)
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n/an/an/a 170n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546108
PNG
(CHEMBL4744568)
Show SMILES COc1cc(Nc2ccnc3ccc(F)cc23)cc(OC)c1OC
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n/an/an/a 58n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537136
PNG
(CHEMBL4556662)
Show SMILES COc1cc(Nc2ccnc3ccc(Cl)cc23)cc(OC)c1OC
Show InChI InChI=1S/C18H17ClN2O3/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/an/a 6.30n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
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/an/a 4.10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537133
PNG
(CHEMBL4517424)
Show SMILES COc1cc(Nc2ccnc3ccc(I)cc23)cc(OC)c1OC
Show InChI InChI=1S/C18H17IN2O3/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/an/a 8.60n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546109
PNG
(CHEMBL4752943)
Show SMILES COc1cc(Nc2ccnc3cc(F)ccc23)cc(OC)c1OC
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n/an/an/a 76n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546110
PNG
(CHEMBL3925728)
Show SMILES COc1cc(Nc2ccnc3cc(Cl)ccc23)cc(OC)c1OC
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n/an/an/a 13n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546111
PNG
(CHEMBL4782290)
Show SMILES COc1cc(Nc2ccnc3cc(Br)ccc23)cc(OC)c1OC
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n/an/an/a 8.60n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546112
PNG
(CHEMBL4740155)
Show SMILES COc1cc(Nc2ccnc3cc(I)ccc23)cc(OC)c1OC
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n/an/an/a 7.60n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537132
PNG
(CHEMBL530635 | TCMDC-138886)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(C)(C)C)cc(OC)c1OC
Show InChI InChI=1S/C22H26N2O3/c1-22(2,3)14-7-8-17-16(11-14)18(9-10-23-17)24-15-12-19(25-4)21(27-6)20(13-15)26-5/h7-13H,1-6H3,(H,23,24)
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n/an/an/a 34n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537134
PNG
(CHEMBL4585158)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C#N)cc(OC)c1OC
Show InChI InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-16-6-7-21-15-5-4-12(11-20)8-14(15)16/h4-10H,1-3H3,(H,21,22)
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n/an/an/a 4.90n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546113
PNG
(CHEMBL4746235)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)S(C)(=O)=O)cc(OC)c1OC
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n/an/an/a 450n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537135
PNG
(CHEMBL4592501)
Show SMILES COc1ccc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C19H20N2O4/c1-22-13-5-6-15-14(11-13)16(7-8-20-15)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21)
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n/an/an/a 48n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 11n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537130
PNG
(CHEMBL4586530)
Show SMILES COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1
Show InChI InChI=1S/C19H20N2O4/c1-22-13-5-6-14-15(7-8-20-16(14)11-13)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21)
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n/an/an/a 35n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546114
PNG
(CHEMBL4746133)
Show SMILES COc1cc(Nc2ccnc3cc(ccc23)C(F)(F)F)cc(OC)c1OC
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TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50537131
PNG
(CHEMBL4575895)
Show SMILES COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC
Show InChI InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)
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n/an/an/a 43n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524280
PNG
(CHEMBL4446630)
Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)
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n/an/an/a 130n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50546115
PNG
(CHEMBL4781252)
Show SMILES COc1cccc(Nc2ccnc3ccc(cc23)C(F)(F)F)c1
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n/an/an/a 4.90n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524287
PNG
(CHEMBL4462395)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3
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n/an/an/a 9.90E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524288
PNG
(CHEMBL4518437)
Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)
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n/an/an/a>3.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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/an/a 1.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinome...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 170n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinome...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/an/a 1.90E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinome...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 92n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinomescan...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Activin receptor type-1


(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/an/a 1.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length ACVR1 (C188 to C509 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 1.30E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length ACVR1 (C188 to C509 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Atypical kinase COQ8A, mitochondrial


(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/an/a 260n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type full-length ADCK3 expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Atypical kinase COQ8A, mitochondrial


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 250n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type full-length ADCK3 expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Atypical kinase COQ8A, mitochondrial


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/an/a 300n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type full-length ADCK3 expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 280n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length BMPR1B (D178 to L502 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-A receptor 1


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 1.30E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphA1 (V588 to I913 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-A receptor 1


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/an/a 3.10E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphA1 (V588 to I913 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-A receptor 8


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 560n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphA8 (Q608 to C920 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-A receptor 8


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/an/a 1.10E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphA8 (Q608 to C920 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 6


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/an/a 130n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphB6 (Q634 to P948 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 6


(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/an/a 710n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphB6 (Q634 to P948 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 6


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
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n/an/an/a 1.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length EphB6 (Q634 to P948 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 3


(Homo sapiens (Human))
BDBM50524287
PNG
(CHEMBL4462395)
Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3
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n/an/an/a 480n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type partial length IRAK3 (V147 to E596 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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Article
PubMed
n/an/an/a 350n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length LCK (R207 to P509 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50524289
PNG
(CHEMBL535429 | TCMDC-138471)
Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length LCK (R207 to P509 residues) expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.025
BindingDB Entry DOI: 10.7270/Q21J9FC5
More data for this
Ligand-Target Pair
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