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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'moehler' and Initial = 'm'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50399331
PNG
(CHEMBL2180882 | US9364459, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cnccc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-14-6-10(7-15(27-2)18(14)28-3)16-17(20(25)23-19(16)24)12-8-22-13-9-21-5-4-11(12)13/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50399331
PNG
(CHEMBL2180882 | US9364459, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cnccc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-14-6-10(7-15(27-2)18(14)28-3)16-17(20(25)23-19(16)24)12-8-22-13-9-21-5-4-11(12)13/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50399334
PNG
(CHEMBL2180878 | US9364459, B)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ncccc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)17(13)28-3)15-16(20(25)23-19(15)24)12-9-22-18-11(12)5-4-6-21-18/h4-9H,1-3H3,(H,21,22)(H,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50399333
PNG
(CHEMBL2177142 | US9364459, D)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccncc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-14-6-10(7-15(27-2)18(14)28-3)16-17(20(25)23-19(16)24)12-9-22-13-4-5-21-8-11(12)13/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 40n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50399331
PNG
(CHEMBL2180882 | US9364459, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cnccc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-14-6-10(7-15(27-2)18(14)28-3)16-17(20(25)23-19(16)24)12-8-22-13-9-21-5-4-11(12)13/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 70n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 71n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50399334
PNG
(CHEMBL2180878 | US9364459, B)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ncccc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)17(13)28-3)15-16(20(25)23-19(15)24)12-9-22-18-11(12)5-4-6-21-18/h4-9H,1-3H3,(H,21,22)(H,23,24,25)
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n/an/a 132n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50399332
PNG
(CHEMBL2180881 | US9364459, E)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 215n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50399332
PNG
(CHEMBL2180881 | US9364459, E)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 373n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50399333
PNG
(CHEMBL2177142 | US9364459, D)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccncc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-14-6-10(7-15(27-2)18(14)28-3)16-17(20(25)23-19(16)24)12-9-22-13-4-5-21-8-11(12)13/h4-9,22H,1-3H3,(H,23,24,25)
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n/an/a 590n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair