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Compile Data Set for Download or QSAR

Found 500 hits with Last Name = 'kaneko' 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
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
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
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)
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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)
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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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
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
Protein kinase C (PKC)


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108296
PNG
(CHEMBL289772 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13
Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
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
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
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
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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)
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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
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
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221211
PNG
(CHEMBL97077)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1)C(N)=O |c:23|
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n/an/a 6.5n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221211
PNG
(CHEMBL97077)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccccc1)C(N)=O |c:23|
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n/an/a 6.5n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2833-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0JP8
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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257342
PNG
(CHEMBL4103972)
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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))
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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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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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)
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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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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
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221473
PNG
(CHEMBL94424)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1cccc(C)c1)C(N)=O |c:23|
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Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257341
PNG
(CHEMBL4094447)
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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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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))
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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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
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221201
PNG
(CHEMBL97712)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1ccc(F)c(F)c1)C(N)=O |c:23|
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Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
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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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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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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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
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135598
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13|
Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135599
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13|
Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
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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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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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
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221409
PNG
(CHEMBL96162)
Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1cccc(F)c1)C(N)=O |c:23|
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Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2829-32 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50135599
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13|
Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2833-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0JP8
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50135598
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O |c:13|
Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1
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Sankyo Co., Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2833-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0JP8
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
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))
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
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
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108295
PNG
(CHEMBL288817 | Indolocarbazole analogue)
Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1
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Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108296
PNG
(CHEMBL289772 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13
Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108293
PNG
(CHEMBL277817 | Indolocarbazole analogue)
Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
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
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