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Compile Data Set for Download or QSAR

Found 43 hits of ph data with Target = 'TGF-beta receptor type I'   
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
TGF-beta receptor type I


(Homo sapiens)
BDBM35954
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 18)
Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(F)cc3)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C23H19FN4O/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)29-19-10-12-26-22(14-19)28-18-8-6-17(24)7-9-18/h3-14H,1-2H3,(H,26,28)
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n/an/a 129n/a 63n/an/a7.423



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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35955
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 19)
Show SMILES Cc1ccc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(C)n1
Show InChI InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM35952
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 16)
Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C23H21N5O3S/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)31-18-10-12-26-22(14-18)28-17-6-8-19(9-7-17)32(24,29)30/h3-14H,1-2H3,(H,26,28)(H2,24,29,30)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35951
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 15)
Show SMILES Cc1cc(Oc2ccnc(Nc3ccc(cc3)N3CCOCC3)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)24-5-3-4-11-28-24)34-23-10-12-29-26(18-23)31-21-6-8-22(9-7-21)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35950
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 14)
Show SMILES COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
Show InChI InChI=1S/C24H22N4O2/c1-16-14-22(24(27-17(16)2)21-6-4-5-12-25-21)30-20-11-13-26-23(15-20)28-18-7-9-19(29-3)10-8-18/h4-15H,1-3H3,(H,26,28)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35949
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 13)
Show SMILES Cc1cc(Oc2ccnc(Nc3cccc(c3)N3CCOCC3)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C27H27N5O2/c1-19-16-25(27(30-20(19)2)24-8-3-4-10-28-24)34-23-9-11-29-26(18-23)31-21-6-5-7-22(17-21)32-12-14-33-15-13-32/h3-11,16-18H,12-15H2,1-2H3,(H,29,31)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35948
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 12)
Show SMILES COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
Show InChI InChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35947
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 11)
Show SMILES Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)23-8-5-6-11-28-23)34-21-10-12-29-26(18-21)31-22-7-3-4-9-24(22)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35946
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 10)
Show SMILES COc1ccccc1Nc1cc(Oc2cc(C)c(C)nc2-c2ccccn2)ccn1
Show InChI InChI=1S/C24H22N4O2/c1-16-14-22(24(27-17(16)2)20-9-6-7-12-25-20)30-18-11-13-26-23(15-18)28-19-8-4-5-10-21(19)29-3/h4-15H,1-3H3,(H,26,28)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35945
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 9)
Show SMILES COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C20H21N3O4/c1-13-16(6-5-8-21-13)27-15-7-9-22-19(12-15)23-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-12H,1-4H3,(H,22,23)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35944
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 8)
Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C20H21N3O4/c1-13-5-6-16(12-22-13)27-15-7-8-21-19(11-15)23-14-9-17(24-2)20(26-4)18(10-14)25-3/h5-12H,1-4H3,(H,21,23)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35943
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 7)
Show SMILES COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)22-18-11-14(6-8-21-18)26-15-5-4-7-20-12-15/h4-12H,1-3H3,(H,21,22)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35942
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 6)
Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C21H23N3O4/c1-13-6-7-17(14(2)23-13)28-16-8-9-22-20(12-16)24-15-10-18(25-3)21(27-5)19(11-15)26-4/h6-12H,1-5H3,(H,22,24)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35941
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 5)
Show SMILES COc1cc(Nc2cc(Oc3ccc(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C25H24N4O4/c1-16-8-9-20(24(28-16)19-7-5-6-11-26-19)33-18-10-12-27-23(15-18)29-17-13-21(30-2)25(32-4)22(14-17)31-3/h5-15H,1-4H3,(H,27,29)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM35939
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 1)
Show SMILES COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM35953
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 17)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
Show InChI InChI=1S/C26H25N5O2/c1-17-15-23(25(29-18(17)2)22-7-5-6-13-27-22)33-21-12-14-28-24(16-21)30-20-10-8-19(9-11-20)26(32)31(3)4/h5-16H,1-4H3,(H,28,30)
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Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21509
PNG
(4-[2-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]...)
Show SMILES C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21510
PNG
(Dihydropyrrolopyrazole, 16a | dimethyl[5-({4-[2-(p...)
Show SMILES CN(C)CCCCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C27H31N5O/c1-31(2)16-6-3-7-18-33-20-11-12-21-22(13-15-29-24(21)19-20)26-25-10-8-17-32(25)30-27(26)23-9-4-5-14-28-23/h4-5,9,11-15,19H,3,6-8,10,16-18H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21511
PNG
(1-(4-methylpiperazin-1-yl)-2-({4-[2-(pyridin-2-yl)...)
Show SMILES CN1CCN(CC1)C(=O)COc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C27H28N6O2/c1-31-13-15-32(16-14-31)25(34)18-35-19-7-8-20-21(9-11-29-23(20)17-19)26-24-6-4-12-33(24)30-27(26)22-5-2-3-10-28-22/h2-3,5,7-11,17H,4,6,12-16,18H2,1H3
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Lilly Research Laboratories



Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21512
PNG
(7-(oxolan-2-ylmethoxy)-4-[2-(pyridin-2-yl)-4H,5H,6...)
Show SMILES C(Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1)C1CCCO1
Show InChI InChI=1S/C25H24N4O2/c1-2-11-26-21(6-1)25-24(23-7-3-13-29(23)28-25)20-10-12-27-22-15-17(8-9-19(20)22)31-16-18-5-4-14-30-18/h1-2,6,8-12,15,18H,3-5,7,13-14,16H2
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21513
PNG
(7-[3-(1-methylpyrrolidin-2-yl)propoxy]-4-[2-(pyrid...)
Show SMILES CN1CCCC1CCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C28H31N5O/c1-32-16-4-7-20(32)8-6-18-34-21-11-12-22-23(13-15-30-25(22)19-21)27-26-10-5-17-33(26)31-28(27)24-9-2-3-14-29-24/h2-3,9,11-15,19-20H,4-8,10,16-18H2,1H3
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n/an/a 72n/a 17n/an/a7.530



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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21514
PNG
(4-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyr...)
Show SMILES N#Cc1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
Show InChI InChI=1S/C27H19N5O/c28-17-18-6-8-19(9-7-18)33-20-10-11-21-22(12-14-30-24(21)16-20)26-25-5-3-15-32(25)31-27(26)23-4-1-2-13-29-23/h1-2,4,6-14,16H,3,5,15H2
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21515
PNG
(4-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyr...)
Show SMILES NC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
Show InChI InChI=1S/C27H21N5O2/c28-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-30-23(20)16-19)25-24-5-3-15-32(24)31-26(25)22-4-1-2-13-29-22/h1-2,4,6-14,16H,3,5,15H2,(H2,28,33)
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21516
PNG
(4-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyr...)
Show SMILES OC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
Show InChI InChI=1S/C27H20N4O3/c32-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-29-23(20)16-19)25-24-5-3-15-31(24)30-26(25)22-4-1-2-13-28-22/h1-2,4,6-14,16H,3,5,15H2,(H,32,33)
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21517
PNG
(Dihydropyrrolopyrazole, 22 | N,N-dimethyl-4-({4-[2...)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
Show InChI InChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21518
PNG
(Dihydropyrrolopyrazole, 23 | dimethyl({[4-({4-[2-(...)
Show SMILES CN(C)Cc1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
Show InChI InChI=1S/C29H27N5O/c1-33(2)19-20-8-10-21(11-9-20)35-22-12-13-23-24(14-16-31-26(23)18-22)28-27-7-5-17-34(27)32-29(28)25-6-3-4-15-30-25/h3-4,6,8-16,18H,5,7,17,19H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21508
PNG
(7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[2-(pyridin...)
Show SMILES CN1CCN(CCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1
Show InChI InChI=1S/C27H30N6O/c1-31-13-15-32(16-14-31)17-18-34-20-7-8-21-22(9-11-29-24(21)19-20)26-25-6-4-12-33(25)30-27(26)23-5-2-3-10-28-23/h2-3,5,7-11,19H,4,6,12-18H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21507
PNG
(Dihydropyrrolopyrazole, 15b | ethyl(methyl)[2-({4-...)
Show SMILES CCN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C25H27N5O/c1-3-29(2)15-16-31-18-9-10-19-20(11-13-27-22(19)17-18)24-23-8-6-14-30(23)28-25(24)21-7-4-5-12-26-21/h4-5,7,9-13,17H,3,6,8,14-16H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21506
PNG
(Dihydropyrrolopyrazole, 15a | dimethyl[2-({4-[2-(p...)
Show SMILES CN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C24H25N5O/c1-28(2)14-15-30-17-8-9-18-19(10-12-26-21(18)16-17)23-22-7-5-13-29(22)27-24(23)20-6-3-4-11-25-20/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21505
PNG
(7-(2-chloroethoxy)-4-[2-(pyridin-2-yl)-4H,5H,6H-py...)
Show SMILES ClCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C22H19ClN4O/c23-9-13-28-15-6-7-16-17(8-11-25-19(16)14-15)21-20-5-3-12-27(20)26-22(21)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2
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n/an/a 33n/a 66n/an/a7.530



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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21504
PNG
(7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[2-(pyridi...)
Show SMILES CN1CCN(CCCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1
Show InChI InChI=1S/C28H32N6O/c1-32-15-17-33(18-16-32)13-5-19-35-21-8-9-22-23(10-12-30-25(22)20-21)27-26-7-4-14-34(26)31-28(27)24-6-2-3-11-29-24/h2-3,6,8-12,20H,4-5,7,13-19H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21503
PNG
(4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol...)
Show SMILES Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4O/c25-13-6-7-14-15(8-10-22-17(14)12-13)19-18-5-3-11-24(18)23-20(19)16-4-1-2-9-21-16/h1-2,4,6-10,12,25H,3,5,11H2
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21502
PNG
(4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol...)
Show SMILES C1CCN(C1)c1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C24H23N5/c1-2-9-19-17(8-1)18(16-22(26-19)28-13-5-6-14-28)23-21-11-7-15-29(21)27-24(23)20-10-3-4-12-25-20/h1-4,8-10,12,16H,5-7,11,13-15H2
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21501
PNG
(2-(ethylsulfanyl)-4-[2-(pyridin-2-yl)-4H,5H,6H-pyr...)
Show SMILES CCSc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C22H20N4S/c1-2-27-20-14-16(15-8-3-4-9-17(15)24-20)21-19-11-7-13-26(19)25-22(21)18-10-5-6-12-23-18/h3-6,8-10,12,14H,2,7,11,13H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21500
PNG
(2-methoxy-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2...)
Show SMILES COc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C21H18N4O/c1-26-19-13-15(14-7-2-3-8-16(14)23-19)20-18-10-6-12-25(18)24-21(20)17-9-4-5-11-22-17/h2-5,7-9,11,13H,6,10,12H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21499
PNG
(Dihydropyrrolopyrazole, 9 | N-[2-(dimethylamino)et...)
Show SMILES CN(C)CCNC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1
Show InChI InChI=1S/C26H28N6O/c1-17-6-4-7-22(29-17)25-24(23-8-5-14-32(23)30-25)19-11-12-27-21-10-9-18(16-20(19)21)26(33)28-13-15-31(2)3/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,28,33)
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21498
PNG
(Dihydropyrrolopyrazole, 8 | methyl 4-[2-(6-methylp...)
Show SMILES COC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1
Show InChI InChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21497
PNG
(4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C22H17F3N4O/c1-13-4-2-5-18(27-13)21-20(19-6-3-11-29(19)28-21)15-9-10-26-17-8-7-14(12-16(15)17)30-22(23,24)25/h2,4-5,7-10,12H,3,6,11H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21496
PNG
(6-bromo-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrro...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(Br)cc12
Show InChI InChI=1S/C21H17BrN4/c1-13-4-2-5-18(24-13)21-20(19-6-3-11-26(19)25-21)15-9-10-23-17-8-7-14(22)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3
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Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21495
PNG
(8-fluoro-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrr...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2c(F)cccc12
Show InChI InChI=1S/C21H17FN4/c1-13-5-2-8-17(24-13)21-19(18-9-4-12-26(18)25-21)14-10-11-23-20-15(14)6-3-7-16(20)22/h2-3,5-8,10-11H,4,9,12H2,1H3
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n/an/a 928n/a 951n/an/a7.530



Lilly Research Laboratories



Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21494
PNG
(6,8-dimethoxy-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H...)
Show SMILES COc1cc(OC)c2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1
Show InChI InChI=1S/C23H22N4O2/c1-14-6-4-7-18(25-14)23-21(19-8-5-11-27(19)26-23)16-9-10-24-22-17(16)12-15(28-2)13-20(22)29-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3
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n/an/a 3.81E+3n/a 7.20E+3n/an/a7.530



Lilly Research Laboratories



Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 59n/a 40n/an/a7.530



Lilly Research Laboratories



Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM21493
PNG
(2-chloro-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-...)
Show SMILES Clc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C20H15ClN4/c21-18-12-14(13-6-1-2-7-15(13)23-18)19-17-9-5-11-25(17)24-20(19)16-8-3-4-10-22-16/h1-4,6-8,10,12H,5,9,11H2
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n/an/a 1.98E+4n/a>2.00E+4n/an/a7.530



Lilly Research Laboratories



Assay Description
The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair