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PubMed code 26704264

Compile data set for download or QSAR
Found 10 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
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50134587
PNG
(CHEMBL3746157)
Show SMILES NC(=O)c1nc(-c2ccns2)c2ccccn12
Show InChI InChI=1S/C11H8N4OS/c12-10(16)11-14-9(8-4-5-13-17-8)7-3-1-2-6-15(7)11/h1-6H,(H2,12,16)
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n/an/a 4n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50134589
PNG
(CHEMBL3747095)
Show SMILES CNc1ccc(nc1C(N)=O)-c1ccncc1
Show InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)
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n/an/a 4n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50134590
PNG
(CHEMBL3747443)
Show SMILES NC(=O)c1nc(ccc1N)-c1ccncc1
Show InChI InChI=1S/C11H10N4O/c12-8-1-2-9(15-10(8)11(13)16)7-3-5-14-6-4-7/h1-6H,12H2,(H2,13,16)
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n/an/a 30n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50134588
PNG
(CHEMBL3746484)
Show SMILES NC(=O)c1nc(-c2ccncc2)c2ccccn12
Show InChI InChI=1S/C13H10N4O/c14-12(18)13-16-11(9-4-6-15-7-5-9)10-3-1-2-8-17(10)13/h1-8H,(H2,14,18)
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n/an/a 150n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50134587
PNG
(CHEMBL3746157)
Show SMILES NC(=O)c1nc(-c2ccns2)c2ccccn12
Show InChI InChI=1S/C11H8N4OS/c12-10(16)11-14-9(8-4-5-13-17-8)7-3-1-2-6-15(7)11/h1-6H,(H2,12,16)
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MMDB

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n/an/a 370n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha phosphorylation in human TNFalpha-stimulated U937 cells treated 1 hr before by ELISA

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50134589
PNG
(CHEMBL3747095)
Show SMILES CNc1ccc(nc1C(N)=O)-c1ccncc1
Show InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha phosphorylation in human TNFalpha-stimulated U937 cells treated 1 hr before by ELISA

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50134591
PNG
(CHEMBL3745744)
Show SMILES NC(=O)c1nc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C12H11N3O/c13-9-6-7-10(15-11(9)12(14)16)8-4-2-1-3-5-8/h1-7H,13H2,(H2,14,16)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))		BDBM50097398
PNG
(CHEMBL449216 | HTS-9026)
Show SMILES NC(=O)c1nnc2ccccc2c1N
Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK6 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50097398
PNG
(CHEMBL449216 | HTS-9026)
Show SMILES NC(=O)c1nnc2ccccc2c1N
Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))		BDBM50097398
PNG
(CHEMBL449216 | HTS-9026)
Show SMILES NC(=O)c1nnc2ccccc2c1N
Show InChI InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MKK3 (unknown origin) by surface plasmon resonance assay

Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%