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PubMed code 19217782

Compile data set for download or QSAR
Found 14 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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28043
PNG
(7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...)
Show SMILES Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O
Show InChI InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)
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n/an/a 20n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28037
PNG
(4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
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n/an/a 50n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28039
PNG
(5-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]-1H...)
Show SMILES c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1
Show InChI InChI=1S/C20H13N5S/c1-2-5-13(6-3-1)14-7-4-8-15(9-14)17-11-21-12-19-16(17)10-18(26-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)
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n/an/a 80n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28042
PNG
(5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1...)
Show SMILES O(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1
Show InChI InChI=1S/C20H13N5OS/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)26-17-11-21-12-19-16(17)10-18(27-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)
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n/an/a 130n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28034
PNG
(4-[(4-phenylphenyl)amino]thieno[2,3-c]pyridine-2-c...)
Show SMILES OC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1
Show InChI InChI=1S/C20H14N2O2S/c23-20(24)18-10-16-17(11-21-12-19(16)25-18)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22H,(H,23,24)
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n/an/a 140n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28044
PNG
(7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...)
Show SMILES NC(=O)c1cc2c(cnc(N)c2s1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c21-19-18-15(10-17(25-18)20(22)24)16(11-23-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,23)(H2,22,24)
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n/an/a 160n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28036
PNG
(N-(4-phenylphenyl)-2-(1H-1,2,3,4-tetrazol-5-yl)thi...)
Show SMILES N(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1
Show InChI InChI=1S/C20H14N6S/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)22-17-11-21-12-19-16(17)10-18(27-19)20-23-25-26-24-20/h1-12,22H,(H,23,24,25,26)
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n/an/a 210n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28035
PNG
(4-[(4-phenylphenyl)amino]thieno[2,3-c]pyridine-2-c...)
Show SMILES NC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1
Show InChI InChI=1S/C20H15N3OS/c21-20(24)18-10-16-17(11-22-12-19(16)25-18)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,23H,(H2,21,24)
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n/an/a 280n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28040
PNG
(4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxy...)
Show SMILES OC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1
Show InChI InChI=1S/C20H13NO3S/c22-20(23)18-10-16-17(11-21-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
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n/an/a 310n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28045
PNG
(4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxyli...)
Show SMILES OC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
Show InChI InChI=1S/C14H8INO3S/c15-8-1-3-9(4-2-8)19-11-6-16-7-13-10(11)5-12(20-13)14(17)18/h1-7H,(H,17,18)
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n/an/a 1.00E+3n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28038
PNG
(4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxam...)
Show SMILES NC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H14N2OS/c21-20(23)18-10-16-17(11-22-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H2,21,23)
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n/an/a 2.90E+3n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM28044
PNG
(7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...)
Show SMILES NC(=O)c1cc2c(cnc(N)c2s1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c21-19-18-15(10-17(25-18)20(22)24)16(11-23-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,23)(H2,22,24)
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n/an/a 4.30E+3n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The ERK HTRF assays were carried out using biotin-MBP protein as a substrate. The reaction was carried out in black 96 half-well plates. At designate...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28044
PNG
(7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-...)
Show SMILES NC(=O)c1cc2c(cnc(N)c2s1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3OS/c21-19-18-15(10-17(25-18)20(22)24)16(11-23-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,23)(H2,22,24)
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n/an/a 1.30E+4n/an/an/an/a7.522



Abbott Laboratories



Assay Description
MEK1 cascade HTRF assays were carried out using inactive Erk2 as a downstream kinase with biotin-MBP protein as the final substrate. The reaction was...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM28041
PNG
(4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboxa...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1
Show InChI InChI=1S/C20H14N2O2S/c21-20(23)18-10-16-17(11-22-12-19(16)25-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,23)
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n/an/a>5.00E+4n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates. At designated...


Bioorg Med Chem Lett 19: 1722-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.088
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%