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Compile Data Set for Download or QSAR

Found 396 hits with Last Name = 'hoffman' and Initial = 'id'   
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 SYK


(Homo sapiens (Human))
BDBM50204291
PNG
(CHEMBL3953104)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258896
PNG
(CHEMBL4060569)
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257340
PNG
(CHEMBL4072828)
PDB

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n/an/a 0.650n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204296
PNG
(CHEMBL3941633)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3CNC(=O)c23)c1 |r|
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n/an/a 0.800n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204292
PNG
(CHEMBL3916444)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3CNC(=O)c23)c1 |r|
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n/an/a 0.900n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204293
PNG
(CHEMBL3983415)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 1.20n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258930
PNG
(CHEMBL4102321)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257447
PNG
(CHEMBL4073882)
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n/an/a 1.70n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257328
PNG
(CHEMBL4082775)
Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257340
PNG
(CHEMBL4072828)
PDB
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n/an/a 1.80n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257343
PNG
(CHEMBL4086046)
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n/an/a 1.90n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 2n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged SYK cytoplasmic domain expressed in baculovirus expression system by Z'-LYTE assay


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204295
PNG
(CHEMBL3944381)
Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1C#N |r|
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n/an/a 2.30n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258926
PNG
(CHEMBL4064402)
PDB
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257445
PNG
(CHEMBL4095659)
Show InChI InChI=1S/C23H22N6O2/c1-31-20-8-3-2-5-18(20)14-26-23(30)17-6-4-7-19(13-17)25-15-21-27-22(29-28-21)16-9-11-24-12-10-16/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204288
PNG
(CHEMBL3925430)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3CNC(=O)c23)c1 |r|
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n/an/a 3.10n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 3.20n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257365
PNG
(CHEMBL4083276)
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n/an/a 3.30n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258929
PNG
(CHEMBL4072982)
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n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257426
PNG
(CHEMBL4077447)
Show InChI InChI=1S/C22H19ClN6O/c23-19-7-2-1-4-17(19)13-26-22(30)16-5-3-6-18(12-16)25-14-20-27-21(29-28-20)15-8-10-24-11-9-15/h1-12,25H,13-14H2,(H,26,30)(H,27,28,29)
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n/an/a 3.90n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257344
PNG
(CHEMBL4065690)
Show InChI InChI=1S/C24H23N5O/c1-17-22(28-29-23(17)19-10-12-25-13-11-19)16-26-21-9-5-8-20(14-21)24(30)27-15-18-6-3-2-4-7-18/h2-14,26H,15-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 4.30n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 4.60n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 6His-tagged FLT3 (564 to 993 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-KKKKEEIYFFFG-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204289
PNG
(CHEMBL3892927)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3CNC(=O)c23)c1 |r|
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n/an/a 4.70n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
PDB

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n/an/a 5.40n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257330
PNG
(CHEMBL4071398)
PDB
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n/an/a 5.5n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257328
PNG
(CHEMBL4082775)
Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)
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n/an/a 6.10n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257342
PNG
(CHEMBL4103972)
PDB
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n/an/a 6.80n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258894
PNG
(CHEMBL4067117)
PDB
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n/an/a 7.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50257503
PNG
(CHEMBL4067877)
Show InChI InChI=1S/C23H21N5O/c29-23(27-14-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-22-26-15-21(28-22)18-9-11-24-12-10-18/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)
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n/an/a 7.30n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257365
PNG
(CHEMBL4083276)
PDB
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n/an/a 7.5n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257341
PNG
(CHEMBL4094447)
PDB
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n/an/a 7.80n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258923
PNG
(CHEMBL4085207)
PDB
MMDB

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n/an/a 8.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257344
PNG
(CHEMBL4065690)
Show InChI InChI=1S/C24H23N5O/c1-17-22(28-29-23(17)19-10-12-25-13-11-19)16-26-21-9-5-8-20(14-21)24(30)27-15-18-6-3-2-4-7-18/h2-14,26H,15-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 9.90n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257425
PNG
(CHEMBL4060973)
Show InChI InChI=1S/C23H22N6O2/c1-31-20-7-2-4-16(12-20)14-26-23(30)18-5-3-6-19(13-18)25-15-21-27-22(29-28-21)17-8-10-24-11-9-17/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257389
PNG
(CHEMBL4093075)
Show InChI InChI=1S/C22H19ClN6O/c23-18-7-6-17(13-19(18)26-21(30)12-15-4-2-1-3-5-15)25-14-20-27-22(29-28-20)16-8-10-24-11-9-16/h1-11,13,25H,12,14H2,(H,26,30)(H,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257429
PNG
(CHEMBL4061438)
PDB
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n/an/a 12n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50204294
PNG
(CHEMBL3943295)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3CNC(=O)c23)c1 |r|
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n/an/a 13n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257409
PNG
(CHEMBL4087117)
Show InChI InChI=1S/C23H21N5O/c29-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(28-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,29)(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257366
PNG
(CHEMBL4082559)
PDB
MMDB

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n/an/a 14n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257329
PNG
(CHEMBL4064232)
PDB
MMDB

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n/an/a 16n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257424
PNG
(CHEMBL4082853)
Show InChI InChI=1S/C23H22N6O2/c1-31-20-7-5-16(6-8-20)14-26-23(30)18-3-2-4-19(13-18)25-15-21-27-22(29-28-21)17-9-11-24-12-10-17/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50257410
PNG
(CHEMBL4089087)
PDB
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n/an/a 18n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50257389
PNG
(CHEMBL4093075)
Show InChI InChI=1S/C22H19ClN6O/c23-18-7-6-17(13-19(18)26-21(30)12-15-4-2-1-3-5-15)25-14-20-27-22(29-28-20)16-8-10-24-11-9-16/h1-11,13,25H,12,14H2,(H,26,30)(H,27,28,29)
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n/an/a 18n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
PDB
MMDB

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n/an/a 18n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50258932
PNG
(CHEMBL4098223)
PDB
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50204290
PNG
(CHEMBL3979920)
Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
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n/an/a 19n/an/an/an/an/an/a



Takeda California, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system by Z'-LYTE assay


Bioorg Med Chem Lett 26: 5947-5950 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.087
BindingDB Entry DOI: 10.7270/Q29888Z2
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257390
PNG
(CHEMBL4082805)
Show InChI InChI=1S/C22H21N7O/c30-22(25-14-16-5-2-1-3-6-16)26-19-8-4-7-18(13-19)24-15-20-27-21(29-28-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H2,25,26,30)(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
More data for this
Ligand-Target Pair
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