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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'kovackova' 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
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
PDB
MMDB

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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
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 370n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 1 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 510n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 5 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 530n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 10 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 560n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 1 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 630n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 5 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 650n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 25 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 710n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 10 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 720n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 50 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 860n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 940n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 25 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 990n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 100 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 1.33E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 50 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 1.47E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 250 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024285
PNG
(CHEMBL3334980)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
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n/an/a 1.78E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 2.11E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 100 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 2.22E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using 500 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 2.25E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 2.85E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 250 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024285
PNG
(CHEMBL3334980)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
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n/an/a 4.94E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 5.91E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin) using 500 uM ATP by biochemical assay


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024263
PNG
(CHEMBL3334963)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCCCCC3)c2c1
Show InChI InChI=1S/C22H25N3O3S/c1-27-18-10-9-15(12-19(18)28-2)16-11-17-20(25-29-22(17)23-13-16)24-21(26)14-7-5-3-4-6-8-14/h9-14H,3-8H2,1-2H3,(H,24,25,26)
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n/an/an/a 530n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024267
PNG
(CHEMBL3334962)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCCC3)c2c1
Show InChI InChI=1S/C20H21N3O3S/c1-25-16-8-7-13(10-17(16)26-2)14-9-15-18(23-27-20(15)21-11-14)22-19(24)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,22,23,24)
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n/an/an/a 2.20E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024268
PNG
(CHEMBL3334961)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCC3)c2c1
Show InChI InChI=1S/C19H19N3O3S/c1-24-15-7-6-12(9-16(15)25-2)13-8-14-17(22-26-19(14)20-10-13)21-18(23)11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H,21,22,23)
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n/an/an/a 1.60E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024269
PNG
(CHEMBL3334945)
Show SMILES COc1cc(ccc1O)-c1cnc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C20H21N3O3S/c1-26-17-10-13(7-8-16(17)24)14-9-15-18(23-27-20(15)21-11-14)22-19(25)12-5-3-2-4-6-12/h7-12,24H,2-6H2,1H3,(H,22,23,25)
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n/an/an/a 2.00E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024271
PNG
(CHEMBL3334946)
Show SMILES COc1cc(ccc1N)-c1cnc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C20H22N4O2S/c1-26-17-10-13(7-8-16(17)21)14-9-15-18(24-27-20(15)22-11-14)23-19(25)12-5-3-2-4-6-12/h7-12H,2-6,21H2,1H3,(H,23,24,25)
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n/an/an/a 660n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024272
PNG
(CHEMBL3334948)
Show SMILES Nc1cccc(c1)-c1cnc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C19H20N4OS/c20-15-8-4-7-13(9-15)14-10-16-17(23-25-19(16)21-11-14)22-18(24)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6,20H2,(H,22,23,24)
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n/an/an/a 2.30E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024278
PNG
(CHEMBL3334949)
Show SMILES Oc1ccc(cc1)-c1cnc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C19H19N3O2S/c23-15-8-6-12(7-9-15)14-10-16-17(22-25-19(16)20-11-14)21-18(24)13-4-2-1-3-5-13/h6-11,13,23H,1-5H2,(H,21,22,24)
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n/an/an/a 3.20E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024279
PNG
(CHEMBL3334955)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(11-18(17)27-2)15-10-16-19(24-28-21(16)22-12-15)23-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,23,24,25)
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n/an/an/a 1.60E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024280
PNG
(CHEMBL3334958)
Show SMILES O=C(Nc1nsc2ncc(cc12)-c1cccs1)C1CCCCC1
Show InChI InChI=1S/C17H17N3OS2/c21-16(11-5-2-1-3-6-11)19-15-13-9-12(14-7-4-8-22-14)10-18-17(13)23-20-15/h4,7-11H,1-3,5-6H2,(H,19,20,21)
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n/an/an/a 1.90E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024281
PNG
(CHEMBL3334959)
Show SMILES O=C(Nc1nsc2ncc(cc12)-c1ccsc1)C1CCCCC1
Show InChI InChI=1S/C17H17N3OS2/c21-16(11-4-2-1-3-5-11)19-15-14-8-13(12-6-7-22-10-12)9-18-17(14)23-20-15/h6-11H,1-5H2,(H,19,20,21)
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n/an/an/a 1.60E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024282
PNG
(CHEMBL3334970)
Show SMILES COc1ccc(cc1OC)-c1cnc2snc(NC(=O)C3CCNCC3)c2c1
Show InChI InChI=1S/C20H22N4O3S/c1-26-16-4-3-13(10-17(16)27-2)14-9-15-18(24-28-20(15)22-11-14)23-19(25)12-5-7-21-8-6-12/h3-4,9-12,21H,5-8H2,1-2H3,(H,23,24,25)
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n/an/an/a 7.20E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024283
PNG
(CHEMBL3334978)
Show SMILES COc1ccc(cc1OC)-c1ccc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C23H25NO3S/c1-26-20-10-8-17(13-21(20)27-2)16-9-11-22-18(12-16)19(14-28-22)24-23(25)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
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n/an/an/a 510n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024285
PNG
(CHEMBL3334980)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
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n/an/an/a 27n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024286
PNG
(CHEMBL3334981)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H25N3O3/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/h8-14H,3-7H2,1-2H3,(H,23,24)(H,25,26)
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n/an/an/a 33n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024287
PNG
(CHEMBL3334982)
Show SMILES COc1ccc(cc1OC)-c1ccc2snc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-18-10-8-16(13-19(18)27-2)15-9-11-20-17(12-15)21(24-28-20)23-22(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24,25)
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n/an/an/a 2.70E+3n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024295
PNG
(CHEMBL3334983)
Show SMILES COc1ccc(cc1OC)-c1ccc2onc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O4/c1-26-19-11-9-16(13-20(19)27-2)15-8-10-18-17(12-15)21(24-28-18)23-22(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,24,25)
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n/an/an/a 960n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024296
PNG
(CHEMBL3334988)
Show SMILES COc1ccc(cc1OC)-c1cnc2ncnc(NC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N5O3/c1-28-16-9-8-14(10-17(16)29-2)15-11-22-19-18(25-15)20(24-12-23-19)26-21(27)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,23,24,26,27)
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n/an/an/a 180n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK2 (unknown origin) ATP site


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/an/a 4.90n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK1 (unknown origin)


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024285
PNG
(CHEMBL3334980)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
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KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to DRAK1 (unknown origin)


J Med Chem 57: 7624-43 (2014)


Article DOI: 10.1021/jm5007929
BindingDB Entry DOI: 10.7270/Q25X2BH3
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086257
PNG
(CHEMBL3425841)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(NCCO)snc2c1
Show InChI InChI=1S/C16H17N3O3S/c1-21-13-4-3-10(8-14(13)22-2)11-7-12-15(18-9-11)16(23-19-12)17-5-6-20/h3-4,7-9,17,20H,5-6H2,1-2H3
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n/an/an/a 120n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086258
PNG
(CHEMBL3425842)
Show SMILES OCCNc1snc2cc(cnc12)-c1ccsc1
Show InChI InChI=1S/C12H11N3OS2/c16-3-2-13-12-11-10(15-18-12)5-9(6-14-11)8-1-4-17-7-8/h1,4-7,13,16H,2-3H2
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n/an/an/a 300n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086259
PNG
(CHEMBL3425844)
Show SMILES C1CN(CCO1)c1snc2cc(cnc12)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)13-10-14-15(17-11-13)16(21-18-14)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2
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n/an/an/a 500n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086260
PNG
(CHEMBL3425846)
Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
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n/an/an/a 52n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086261
PNG
(CHEMBL3425847)
Show SMILES C1CN(CCO1)c1snc2cc(cnc12)-c1ccsc1
Show InChI InChI=1S/C14H13N3OS2/c1-6-19-9-10(1)11-7-12-13(15-8-11)14(20-16-12)17-2-4-18-5-3-17/h1,6-9H,2-5H2
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n/an/an/a 42n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086262
PNG
(CHEMBL3425859)
Show SMILES C1CN(CCO1)c1snc2cc(cnc12)-c1cccs1
Show InChI InChI=1S/C14H13N3OS2/c1-2-12(19-7-1)10-8-11-13(15-9-10)14(20-16-11)17-3-5-18-6-4-17/h1-2,7-9H,3-6H2
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n/an/an/a 47n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086263
PNG
(CHEMBL3425860)
Show SMILES C1CN(CCO1)c1snc2cc(cnc12)-c1ccoc1
Show InChI InChI=1S/C14H13N3O2S/c1-4-19-9-10(1)11-7-12-13(15-8-11)14(20-16-12)17-2-5-18-6-3-17/h1,4,7-9H,2-3,5-6H2
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n/an/an/a 200n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086264
PNG
(CHEMBL3425862)
Show SMILES COc1ccc(OC)c(c1)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI InChI=1S/C18H19N3O3S/c1-22-13-3-4-16(23-2)14(10-13)12-9-15-17(19-11-12)18(25-20-15)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3
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n/an/an/a 130n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50086265
PNG
(CHEMBL3425863)
Show SMILES COc1cc(OC)cc(c1)-c1cnc2c(snc2c1)N1CCOCC1
Show InChI InChI=1S/C18H19N3O3S/c1-22-14-7-12(8-15(10-14)23-2)13-9-16-17(19-11-13)18(25-20-16)21-3-5-24-6-4-21/h7-11H,3-6H2,1-2H3
PDB
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n/an/an/a 72n/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis


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
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