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Compile Data Set for Download or QSAR

Found 84 hits of ec50 data for polymerid = 4371   
Target
(Institution)
LigandTarget
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)
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



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)

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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n/an/a 13n/a 20n/an/a7.423



AstraZeneca



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)

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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n/an/a 35n/a 21n/an/a7.423



AstraZeneca



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)

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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n/an/a 72n/a 22n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 47n/a 24n/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)

More data for this
Ligand-Target Pair
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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n/an/a 21n/a 27n/an/a7.423



AstraZeneca



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)

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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n/an/a 24n/a 29n/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)

More data for this
Ligand-Target Pair
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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n/an/a 12n/a 31n/an/a7.423



AstraZeneca



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)

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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n/an/a 4n/a 32n/an/a7.423



AstraZeneca



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)

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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n/an/a 30n/a 35n/an/a7.423



AstraZeneca



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)

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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n/an/a 100n/a 38n/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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 74n/a 44n/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)

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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n/an/a 44n/a 55n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 89n/a 55n/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)

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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n/an/a 85n/a 61n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
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)

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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n/an/a 6n/a 62n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
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



AstraZeneca



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)

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



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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329784
PNG
((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,2,4,7-8,17-18,20H2,1H3,(H,31,35)(H,33,36)
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n/an/an/an/a 75n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

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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n/an/a 130n/a 80n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255960
PNG
(4-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazo...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-3-2-4-13(21-10)15-16(23-17(18)22-15)11-5-6-12-14(9-11)20-8-7-19-12/h2-9H,1H3,(H2,18,22)
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n/an/an/an/a 80n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329794
PNG
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)
Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33-30(38)28(26)29(22-10-8-7-9-11-22)32-24-13-15-25(16-14-24)36(21(2)37)19-18-34(3)4/h7-17,20,28H,6,18-19H2,1-5H3,(H,33,38)
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n/an/an/an/a 102n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50279164
PNG
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)
Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)
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n/an/an/an/a 105n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM50329791
PNG
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36)
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n/an/an/an/a 108n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255228
PNG
(CHEMBL517068 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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n/an/an/an/a 111n/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)

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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n/an/a 7n/a 114n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329805
PNG
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,25H,4,16-17H2,1-3H3,(H,29,33)(H,31,34)
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n/an/an/an/a 135n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

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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n/an/a 109n/a 146n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329802
PNG
((Z)-N-ethyl-3-((4-((ethylamino)methyl)phenylamino)...)
Show SMILES CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1
Show InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20-9-7-6-8-10-20)25-23-16-13-21(28(34)32(3)5-2)17-24(23)31-27(25)33/h6-17,25,29H,4-5,18H2,1-3H3,(H,31,33)
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n/an/an/an/a 160n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255227
PNG
(CHEMBL450161 | N-(5-([1,2,4]triazolo[1,5-a]pyridin...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
Show InChI InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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n/an/an/an/a 165n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50110208
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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n/an/an/an/a 172n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens)
BDBM50255179
PNG
(CHEMBL519939 | N-(4-(5-fluoro-6-methylpyridin-2-yl...)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1ccc2nccnc2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
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n/an/an/an/a 180n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 69n/a 180n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329799
PNG
((Z)-3-((4-((dimethylamino)methyl)phenylamino)(phen...)
Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27(33)24(22)25(19-8-6-5-7-9-19)29-21-13-10-18(11-14-21)17-31(2)3/h5-16,24H,4,17H2,1-3H3,(H,28,32)(H,30,33)
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n/an/an/an/a 185n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329790
PNG
((Z)-N,N-dimethyl-2-oxo-3-(phenyl(4-(piperidin-1-yl...)
Show SMILES CN(C)C(=O)c1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1
Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-26-25(19-23)27(29(35)32-26)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35)
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n/an/an/an/a 198n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

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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n/an/a 160n/a 200n/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)

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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n/an/a 141n/a 201n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329792
PNG
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)
Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,27H,6,18-19H2,1-5H3,(H,32,36)
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n/an/an/an/a 209n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50279163
PNG
(CHEMBL1203981 | CHEMBL496861)
Show SMILES CN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35)
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n/an/an/an/a 246n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329806
PNG
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)
Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C29H32N4O2/c1-5-33(4)29(35)22-13-16-24-25(19-22)31-28(34)26(24)27(21-9-7-6-8-10-21)30-23-14-11-20(12-15-23)17-18-32(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,31,34)
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n/an/an/an/a 259n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

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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n/an/a 49n/a 260n/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)

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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n/an/a 108n/a 282n/an/a7.423



AstraZeneca



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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50255909
PNG
(6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C20H21FN8/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)28-9-7-27(2)8-10-28/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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n/an/an/an/a 344n/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)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329815
PNG
((Z)-N-ethyl-2-oxo-3-((4-(piperidin-1-ylmethyl)phen...)
Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(CN4CCCCC4)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,21H,2-5,12-13,16H2,1H3,(H,25,29)(H,27,30)
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n/an/an/an/a 376n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50329801
PNG
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)
Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(5)26(36)19-33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37)
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n/an/an/an/a 382n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA


J Med Chem 53: 7287-95 (2010)

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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n/an/a 526n/a 403n/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)

More data for this
Ligand-Target Pair
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