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5 similar compounds to monomer 50255179

Compile data set for download or QSAR
Wt: 406.4
BDBM50255906
Wt: 320.3
BDBM50255959
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Wt: 390.4
BDBM50255229
Wt: 376.3
BDBM50255230
Wt: 392.3
BDBM50255231

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50255906,50255959,50255229,50255230,50255231   
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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0.700n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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7.20n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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8.80n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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19n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255229
PNG
(CHEMBL482207 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(C)C(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O/c1-11(2)20(29)28-21-26-18(13-4-6-15-17(10-13)24-9-8-23-15)19(27-21)16-7-5-14(22)12(3)25-16/h4-11H,1-3H3,(H2,26,27,28,29)
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>2.80E+4n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 156n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 61n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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n/an/a 33.5n/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50255231
PNG
(CHEMBL479262 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O2/c1-11-13(21)4-6-15(24-11)19-18(26-20(27-19)25-17(28)10-29-2)12-3-5-14-16(9-12)23-8-7-22-14/h3-9H,10H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50255959
PNG
(4-(5-fluoro-6-methylpyridin-2-yl)-5-(quinoxalin-6-...)
Show SMILES Cc1nc(ccc1F)-c1nc(N)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13FN6/c1-9-11(18)3-5-13(22-9)16-15(23-17(19)24-16)10-2-4-12-14(8-10)21-7-6-20-12/h2-8H,1H3,(H3,19,23,24)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50255230
PNG
(CHEMBL521441 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H17FN6O/c1-3-17(28)25-20-26-18(12-4-6-14-16(10-12)23-9-8-22-14)19(27-20)15-7-5-13(21)11(2)24-15/h4-10H,3H2,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 1.35E+4n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255906
PNG
(CHEMBL480731 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES COCCC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H19FN6O2/c1-12-14(22)4-6-16(25-12)20-19(27-21(28-20)26-18(29)7-10-30-2)13-3-5-15-17(11-13)24-9-8-23-15/h3-6,8-9,11H,7,10H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 148n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair