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BDBM28042 5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole::CHEMBL496536::thieno[2,3-c]pyridine, 7

SMILES: O(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

InChI Key: InChIKey=ALSCJHCBHMRCIE-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 28042   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2VH5M4P
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 4.30E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of COT (unknown origin) by cell-based HTRF assay


Bioorg Med Chem Lett 18: 4952-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(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 9.70E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) by HTRF assay


Bioorg Med Chem Lett 18: 4952-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH
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 150n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COT by HTRF-based assay


Bioorg Med Chem Lett 18: 4952-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH
More data for this
Ligand-Target Pair