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Compile Data Set for Download or QSAR

Found 707 hits with Last Name = 'fukumoto' 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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240305
PNG
(CHEMBL4082370)
PDB
MMDB

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n/an/a 0.0860n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240307
PNG
(CHEMBL4065996)
PDB
MMDB

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n/an/a 0.180n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
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
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 0.860n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240298
PNG
(CHEMBL4092652)
PDB
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n/an/a 0.870n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
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



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
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)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257447
PNG
(CHEMBL4073882)
PDB
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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)
PDB
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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
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
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257365
PNG
(CHEMBL4083276)
PDB

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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
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50005097
PNG
(7-(4-Fluoro-phenyl)-7-(3-formyl-6-hydroxy-2,4,5-tr...)
Show SMILES Cc1c(C)c(C=O)c(C)c(C(CCCCCC(O)=O)c2ccc(F)cc2)c1O
Show InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit specific binding of [3H]-U-46,619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platel...


J Med Chem 35: 2202-9 (1992)


BindingDB Entry DOI: 10.7270/Q2JQ0ZZZ
More data for this
Ligand-Target Pair
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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240297
PNG
(CHEMBL4100381)
PDB
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n/an/a 6.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376111
PNG
(CHEMBL258618)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(C)n1
Show InChI InChI=1S/C27H25ClN4O3/c1-3-23(33)25-24(16-7-5-4-6-8-16)21-13-17(28)9-12-20(21)27(35)32(25)15-19-14-22(31(2)30-19)26(34)29-18-10-11-18/h4-9,12-14,18H,3,10-11,15H2,1-2H3,(H,29,34)
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n/an/a 6.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240303
PNG
(CHEMBL4093591)
PDB
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376119
PNG
(CHEMBL259484)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cn(C(=O)NC)c(C)n1
Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(16-8-6-5-7-9-16)20-12-17(26)10-11-19(20)24(32)30(23)14-18-13-29(15(2)28-18)25(33)27-3/h5-13H,4,14H2,1-3H3,(H,27,33)
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n/an/a 6.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376115
PNG
(CHEMBL437107)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1
Show InChI InChI=1S/C24H21ClN4O3/c1-3-20(30)22-21(14-7-5-4-6-8-14)18-11-15(25)9-10-17(18)24(32)29(22)13-16-12-19(23(26)31)28(2)27-16/h4-12H,3,13H2,1-2H3,(H2,26,31)
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n/an/a 7.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257365
PNG
(CHEMBL4083276)
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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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376123
PNG
(CHEMBL260064)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(C)=O)n1)S(C)(=O)=O
Show InChI InChI=1S/C26H24ClN3O5S/c1-4-22(32)25-24(17-8-6-5-7-9-17)21-12-18(27)10-11-20(21)26(33)29(25)15-19-13-23(36(3,34)35)30(28-19)14-16(2)31/h5-13H,4,14-15H2,1-3H3
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n/an/a 7.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257341
PNG
(CHEMBL4094447)
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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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376122
PNG
(CHEMBL260065)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(N)=O)n1)S(C)(=O)=O
Show InChI InChI=1S/C25H23ClN4O5S/c1-3-20(31)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)29(24)13-17-12-22(36(2,34)35)30(28-17)14-21(27)32/h4-12H,3,13-14H2,1-2H3,(H2,27,32)
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n/an/a 8.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024849
PNG
(CHEMBL3337825)
Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30)
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n/an/a 8.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376118
PNG
(CHEMBL258705)
Show SMILES CCNC(=O)n1ccc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)n1
Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(16-8-6-5-7-9-16)20-14-17(26)10-11-19(20)24(32)29(23)15-18-12-13-30(28-18)25(33)27-4-2/h5-14H,3-4,15H2,1-2H3,(H,27,33)
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376114
PNG
(CHEMBL259720)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC)n(C)n1
Show InChI InChI=1S/C25H23ClN4O3/c1-4-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)30(23)14-17-13-20(24(32)27-2)29(3)28-17/h5-13H,4,14H2,1-3H3,(H,27,32)
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n/an/a 9.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376120
PNG
(CHEMBL259554)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32)
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n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521 | US9669035, B-1b)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL




J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376110
PNG
(CHEMBL409350)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(CC(F)F)n1
Show InChI InChI=1S/C28H25ClF2N4O3/c1-2-23(36)26-25(16-6-4-3-5-7-16)21-12-17(29)8-11-20(21)28(38)34(26)14-19-13-22(27(37)32-18-9-10-18)35(33-19)15-24(30)31/h3-8,11-13,18,24H,2,9-10,14-15H2,1H3,(H,32,37)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024859
PNG
(CHEMBL3337831)
Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376125
PNG
(CHEMBL411083)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O
Show InChI InChI=1S/C25H22ClF2N3O4S/c1-3-20(32)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)30(24)13-17-12-22(36(2,34)35)31(29-17)14-21(27)28/h4-12,21H,3,13-14H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376124
PNG
(CHEMBL261413)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CCC(C)(C)O)n1)S(C)(=O)=O
Show InChI InChI=1S/C28H30ClN3O5S/c1-5-23(33)26-25(18-9-7-6-8-10-18)22-15-19(29)11-12-21(22)27(34)31(26)17-20-16-24(38(4,36)37)32(30-20)14-13-28(2,3)35/h6-12,15-16,35H,5,13-14,17H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376113
PNG
(CHEMBL258631)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)N(C)C)n(C)n1
Show InChI InChI=1S/C26H25ClN4O3/c1-5-22(32)24-23(16-9-7-6-8-10-16)20-13-17(27)11-12-19(20)25(33)31(24)15-18-14-21(30(4)28-18)26(34)29(2)3/h6-14H,5,15H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50376112
PNG
(CHEMBL258845)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(CC)n1
Show InChI InChI=1S/C25H23ClN4O3/c1-3-21(31)23-22(15-8-6-5-7-9-15)19-12-16(26)10-11-18(19)25(33)29(23)14-17-13-20(24(27)32)30(4-2)28-17/h5-13H,3-4,14H2,1-2H3,(H2,27,32)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50359651
PNG
(CHEMBL1929041)
Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF4N3O2/c1-9-4-11(21)2-3-14(9)27-15(7-16(26-27)19(22,23)24)10-5-12(20)18-13(6-10)25-17(28)8-29-18/h2-7H,8H2,1H3,(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation counting


J Med Chem 54: 8616-31 (2011)


Article DOI: 10.1021/jm2011645
BindingDB Entry DOI: 10.7270/Q21G0MP5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257429
PNG
(CHEMBL4061438)
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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))
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))
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
Sodium/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115243
PNG
((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...)
Show SMILES [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12|
Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257366
PNG
(CHEMBL4082559)
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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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50240304
PNG
(CHEMBL4099368)
PDB
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2497-2501 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.099
BindingDB Entry DOI: 10.7270/Q21G0PCZ
More data for this
Ligand-Target Pair
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