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PubMed code 28109791

Compile data set for download or QSAR
Found 44 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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a 56n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity


Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity


Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity


Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Protein kinase C iota type/zeta type


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 4.10E+3n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 3.40E+4n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 1.30E+3n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50235176
PNG
(CHEMBL4095421)
Show SMILES CN1CCN(CC1)c1cccc2cc(NC(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)cc3)ccc12
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n/an/an/a 12n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 1.20E+5n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 600n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 4.40E+3n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/an/a 59n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 2.80E+3n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity


Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 6.30E+4n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM206104
PNG
(US9255110, 17)
Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
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n/an/an/a 150n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 3.70E+5n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1031-1036 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.064
BindingDB Entry DOI: 10.7270/Q22J6F3R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%