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BDBM50024284 CHEMBL3334979

SMILES: COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1

InChI Key: InChIKey=HGVYGHNZFIZVJT-UHFFFAOYSA-N

Data: 22 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50024284   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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/an/a 9n/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
Death-associated protein kinase 3


(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 3.98E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK3


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
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 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 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 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 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 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 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 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))
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))
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 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 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 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 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))
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 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 1.31E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
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 1.72E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(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 5.50E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK2


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
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