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Compile Data Set for Download or QSAR

Found 48 hits of ic50 data for polymerid = 5618   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
TGF-beta receptor type-1


(Mus musculus)		BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564611
PNG
(CHEMBL4788502)
Show SMILES OC(c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1)C(F)(F)F
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564593
PNG
(CHEMBL4777871)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccccc3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564609
PNG
(CHEMBL4791815)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50252542
PNG
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)
Show SMILES Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1
Show InChI InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)
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Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564612
PNG
(CHEMBL4786439)
Show SMILES FC1(F)CC(C1)c1nn(cc1Oc1ccnc(Nc2ccnc(c2)N2CCOCC2)c1)C1CC1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382325
PNG
(CHEMBL2024693)
Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mouse NIH3T3 cells assessed as reduction in SMAD3 phosphorylation

ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
TGF-beta receptor type-1


(Mus musculus)		BDBM50564614
PNG
(CHEMBL4797329)
Show SMILES OC1(CCC(F)(F)CC1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382323
PNG
(CHEMBL2024690)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50298220
PNG
(2-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-im...)
Show SMILES Cc1cccc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(C)(C)C
Show InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
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Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564620
PNG
(Ly-3200882 | Ly3200882 | US11691981, Compound A)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564603
PNG
(CHEMBL4777294 | US11691981, Compound 77)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCC(F)(F)CC3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564610
PNG
(CHEMBL4778362)
Show SMILES CC(O)(c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1)C(F)(F)F
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564598
PNG
(CHEMBL4784194)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc4OCOc4c3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50015640
PNG
(GALUNISERTIB | LY-2157299)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)|
Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
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Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay

J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564608
PNG
(CHEMBL4782867)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CC(O)(C3)C(F)(F)F)C3CC3)ccn2)ccn1 |(64.86,-15.5,;63.53,-14.72,;63.53,-16.26,;62,-14.57,;64.44,-13.49,;65.97,-13.65,;66.86,-12.4,;68.39,-12.56,;69.31,-11.32,;68.68,-9.91,;69.59,-8.66,;68.97,-7.26,;69.87,-6.01,;71.41,-6.01,;71.89,-4.55,;70.65,-3.64,;69.4,-4.55,;67.94,-4.07,;67.23,-2.7,;65.86,-3.4,;64.77,-2.3,;66.56,-4.77,;64.37,-3.79,;64.36,-5.33,;63.03,-4.56,;63.28,-2.71,;73.35,-4.07,;74.86,-4.4,;74.39,-2.93,;71.12,-8.83,;71.74,-10.22,;70.84,-11.48,;66.25,-10.99,;64.72,-10.83,;63.81,-12.08,)|
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564613
PNG
(CHEMBL4791582)
Show SMILES OC1(CCOCC1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564617
PNG
(CHEMBL4781326)
Show SMILES OC1(CN(CC(F)(F)F)C1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564605
PNG
(CHEMBL4795823)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3C4COCC34)C3CC3)ccn2)ccn1
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n/an/a 116n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 117n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564594
PNG
(CHEMBL4792452)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc(F)cc3)C3CC3)ccn2)ccn1
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n/an/a 119n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564615
PNG
(CHEMBL4780548)
Show SMILES OC1(CCN(CC1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1)C(F)(F)F
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n/an/a 127n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564616
PNG
(CHEMBL4791955)
Show SMILES OC1(COC1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382319
PNG
(CHEMBL2024686)
Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564604
PNG
(CHEMBL4797447)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCC(C)(O)CC3)C3CC3)ccn2)ccn1 |(61.39,-54.15,;60.06,-53.38,;60.06,-54.92,;58.53,-53.23,;60.97,-52.13,;62.5,-52.29,;63.39,-51.05,;64.93,-51.21,;65.84,-49.96,;65.21,-48.55,;66.13,-47.3,;65.5,-45.89,;66.41,-44.64,;67.95,-44.64,;68.43,-43.19,;67.18,-42.27,;65.94,-43.19,;64.48,-42.72,;64.16,-41.22,;62.71,-40.74,;61.56,-41.76,;60.8,-40.43,;60.03,-41.76,;61.88,-43.27,;63.34,-43.75,;69.9,-42.71,;71.41,-43.03,;70.93,-41.56,;67.66,-47.46,;68.28,-48.87,;67.38,-50.13,;62.78,-49.64,;61.25,-49.47,;60.33,-50.71,)|
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TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564595
PNG
(CHEMBL4790322)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc(cc3)C#N)C3CC3)ccn2)ccn1
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n/an/a 162n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564601
PNG
(CHEMBL4781586)
Show SMILES Cn1cc(cn1)-c1nn(cc1Oc1ccnc(Nc2ccnc(c2)C(C)(C)O)c1)C1CC1
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n/an/a 188n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 211n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564599
PNG
(CHEMBL4788673)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3cccc4OCCOc34)C3CC3)ccn2)ccn1
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n/an/a 225n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM102619
PNG
(K02288a | US10688093, Compound 382_0087_0284 | US1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
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n/an/a 236n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382322
PNG
(CHEMBL2024689)
Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3
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n/an/a 274n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564618
PNG
(CHEMBL4784622)
Show SMILES OC1(CC2(CN(C2)C(=O)C2CC2)C1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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n/an/a 283n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564602
PNG
(CHEMBL4777610)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccncc3)C3CC3)ccn2)ccn1
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n/an/a 326n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382320
PNG
(CHEMBL2024687)
Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 695n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50382326
PNG
(CHEMBL2024692)
Show SMILES CCn1cnc2ccc(cc2c1=O)-c1ccnn1-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3
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n/an/a 708n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay

Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564607
PNG
(CHEMBL4799736)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CN(C3)C(=O)C3CC3)C3CC3)ccn2)ccn1
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n/an/a 748n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564619
PNG
(CHEMBL4795745)
Show SMILES CC1COCC(C)N1Cc1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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n/an/a 972n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564596
PNG
(CHEMBL4781452)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc(cc3)C(N)=O)C3CC3)ccn2)ccn1
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n/an/a 2.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM36354
PNG
(4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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n/an/a 5.97E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564606
PNG
(CHEMBL4783147)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CN(CC(F)(F)F)C3)C3CC3)ccn2)ccn1
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n/an/a 6.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 7.83E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM102618
PNG
(LDN-212854)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 9.28E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564597
PNG
(CHEMBL4794175)
Show SMILES CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc(cc3)C(O)=O)C3CC3)ccn2)ccn1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)		BDBM50564600
PNG
(CHEMBL4784607)
Show SMILES Cc1noc(C)c1-c1nn(cc1Oc1ccnc(Nc2ccnc(c2)C(C)(C)O)c1)C1CC1 |(64.58,-25.86,;64.58,-24.33,;63.33,-23.42,;63.81,-21.96,;65.34,-21.96,;66.24,-20.72,;65.82,-23.42,;67.28,-23.89,;68.53,-22.98,;69.77,-23.89,;69.29,-25.35,;67.75,-25.35,;66.85,-26.6,;67.47,-28.01,;69,-28.17,;69.63,-29.57,;68.72,-30.83,;67.19,-30.67,;66.27,-31.91,;64.74,-31.75,;64.13,-30.34,;62.59,-30.18,;61.68,-31.42,;62.32,-32.83,;63.85,-32.99,;61.41,-34.08,;62.74,-34.85,;61.4,-35.62,;59.88,-33.93,;66.56,-29.26,;71.24,-23.41,;72.75,-23.73,;72.28,-22.27,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF-beta type 1 receptor in mouse NIH3T3 cells expressing Luc-Smad 2/3 measured after 24 hrs incubation by cell based Bright-Glo Lucife...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112354
BindingDB Entry DOI: 10.7270/Q2251NX9
More data for this
Ligand-Target Pair