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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°
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)
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...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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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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 ...


Citation and Details
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...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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 ...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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