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PubMed code 16570917

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184871
PNG
(4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyr...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184879
PNG
(CHEMBL424676 | dimethyl-{2-[(4-{4-[3-(pyridin-2-yl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184887
PNG
(2-{4-[(2-chloroethyl)oxy]phenyl}-4-[3-(pyridin-2-y...)
Show SMILES ClCCOc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C21H17ClN4O/c22-9-12-27-17-6-4-15(5-7-17)20-13-16(8-11-24-20)18-14-25-26-21(18)19-3-1-2-10-23-19/h1-8,10-11,13-14H,9,12H2,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184890
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-[4-(1-pyrro...)
Show SMILES C(N1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C24H23N5/c1-2-11-25-22(5-1)24-21(16-27-28-24)20-10-12-26-23(15-20)19-8-6-18(7-9-19)17-29-13-3-4-14-29/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184885
PNG
(2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4...)
Show SMILES COc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4O/c1-25-16-7-5-14(6-8-16)19-12-15(9-11-22-19)17-13-23-24-20(17)18-4-2-3-10-21-18/h2-13H,1H3,(H,23,24)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184886
PNG
(2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-4-13(5-7-15)18-11-14(8-10-25-18)16-12-26-27-19(16)17-3-1-2-9-24-17/h1-12H,(H,26,27)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184880
PNG
(1-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-...)
Show SMILES CC(=O)COc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C22H18N4O2/c1-15(27)14-28-18-7-5-16(6-8-18)21-12-17(9-11-24-21)19-13-25-26-22(19)20-4-2-3-10-23-20/h2-13H,14H2,1H3,(H,25,26)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184895
PNG
(4-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridin-2-yl]...)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C21H16N4O2/c1-27-21(26)15-7-5-14(6-8-15)19-12-16(9-11-23-19)17-13-24-25-20(17)18-4-2-3-10-22-18/h2-13H,1H3,(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184875
PNG
(2-[4-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-...)
Show SMILES Cc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4/c1-14-5-7-15(8-6-14)19-12-16(9-11-22-19)17-13-23-24-20(17)18-4-2-3-10-21-18/h2-13H,1H3,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184896
PNG
(2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyr...)
Show SMILES C(Cn1ccnc1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184897
PNG
(2-[4-isopropylphenyl]-4-[3-(pyridin-2-yl)-1H-pyraz...)
Show SMILES CC(C)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184873
PNG
(2-[4-cyanophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-y...)
Show SMILES N#Cc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H13N5/c21-12-14-4-6-15(7-5-14)19-11-16(8-10-23-19)17-13-24-25-20(17)18-3-1-2-9-22-18/h1-11,13H,(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184874
PNG
(2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-pyridin...)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(18-28-29-25)20-10-12-27-24(17-20)19-6-8-21(9-7-19)31-16-15-30-13-3-4-14-30/h1-2,5-12,17-18H,3-4,13-16H2,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184877
PNG
(4-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-...)
Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C24H23N5O/c1-2-9-25-22(3-1)24-21(16-27-28-24)20-8-10-26-23(15-20)19-6-4-18(5-7-19)17-29-11-13-30-14-12-29/h1-10,15-16H,11-14,17H2,(H,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184900
PNG
(2-(4-chlorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)
Show SMILES Clc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C19H13ClN4/c20-15-6-4-13(5-7-15)18-11-14(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184876
PNG
(CHEMBL204211 | [(4-{4-[3-(pyridin-2-yl)-1H-pyrazol...)
Show SMILES C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H25N5O/c1-2-11-26-23(3-1)25-22(17-29-30-25)20-8-12-27-24(15-20)19-6-4-18(5-7-19)16-28-21-9-13-31-14-10-21/h1-8,11-12,15,17,21,28H,9-10,13-14,16H2,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184901
PNG
(2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)
Show SMILES Fc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C19H13FN4/c20-15-6-4-13(5-7-15)18-11-14(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184883
PNG
(2-(2-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C19H13FN4/c20-16-6-2-1-5-14(16)18-11-13(8-10-22-18)15-12-23-24-19(15)17-7-3-4-9-21-17/h1-12H,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184898
PNG
(2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-y...)
Show SMILES C(CC1CCCCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C27H28N4O/c1-2-6-20(7-3-1)14-17-32-23-11-9-21(10-12-23)26-18-22(13-16-29-26)24-19-30-31-27(24)25-8-4-5-15-28-25/h4-5,8-13,15-16,18-20H,1-3,6-7,14,17H2,(H,30,31)
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n/an/a 81n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184884
PNG
(CHEMBL205151 | N-(2-methoxyethyl)-4-(4-(3-(pyridin...)
Show SMILES COCCNC(=O)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C23H21N5O2/c1-30-13-12-26-23(29)17-7-5-16(6-8-17)21-14-18(9-11-25-21)19-15-27-28-22(19)20-4-2-3-10-24-20/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 91n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184881
PNG
(2-phenyl-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyrid...)
Show SMILES c1[nH]nc(c1-c1ccnc(c1)-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-12-15(9-11-21-18)16-13-22-23-19(16)17-8-4-5-10-20-17/h1-13H,(H,22,23)
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n/an/a 107n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184893
PNG
(2-pyrrolidin-1-yl-N-{4-[4-(3-pyridin-2-yl-1H-pyraz...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C24H21N5O/c30-24(29-13-3-4-14-29)18-8-6-17(7-9-18)22-15-19(10-12-26-22)20-16-27-28-23(20)21-5-1-2-11-25-21/h1-2,5-12,15-16H,3-4,13-14H2,(H,27,28)
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184878
PNG
(CHEMBL206017 | N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazo...)
Show SMILES O=C(Nc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1)C1CCOCC1
Show InChI InChI=1S/C25H23N5O2/c31-25(18-9-13-32-14-10-18)29-20-6-4-17(5-7-20)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,18H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 112n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184899
PNG
(2-(3-methoxyphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol...)
Show SMILES COc1cccc(c1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4O/c1-25-16-6-4-5-15(11-16)19-12-14(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
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n/an/a 115n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184894
PNG
(2-morpholin-1-yl-N-{4-[4-(3-pyridin-2-yl-1H-pyrazo...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C24H21N5O2/c30-24(29-11-13-31-14-12-29)18-6-4-17(5-7-18)22-15-19(8-10-26-22)20-16-27-28-23(20)21-3-1-2-9-25-21/h1-10,15-16H,11-14H2,(H,27,28)
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n/an/a 123n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184888
PNG
(2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-...)
Show SMILES Cc1cccc(c1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4/c1-14-5-4-6-16(11-14)19-12-15(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
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n/an/a 191n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184882
PNG
(CHEMBL205271 | N-methyl-4-(4-(3-(pyridin-2-yl)-1H-...)
Show SMILES CN(C1CCOCC1)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C26H25N5O2/c1-31(21-10-14-33-15-11-21)26(32)19-7-5-18(6-8-19)24-16-20(9-13-28-24)22-17-29-30-25(22)23-4-2-3-12-27-23/h2-9,12-13,16-17,21H,10-11,14-15H2,1H3,(H,29,30)
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n/an/a 214n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184889
PNG
(2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-5-3-4-14(10-15)18-11-13(7-9-25-18)16-12-26-27-19(16)17-6-1-2-8-24-17/h1-12H,(H,26,27)
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n/an/a 240n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184891
PNG
(2-(2-methylphenyl)-4-[3-(pyridin-2-yl)-1H-pyrazol-...)
Show SMILES Cc1ccccc1-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H16N4/c1-14-6-2-3-7-16(14)19-12-15(9-11-22-19)17-13-23-24-20(17)18-8-4-5-10-21-18/h2-13H,1H3,(H,23,24)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 7.28E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-p38alpha

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50184892
PNG
(2-[2-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)16-6-2-1-5-14(16)18-11-13(8-10-25-18)15-12-26-27-19(15)17-7-3-4-9-24-17/h1-12H,(H,26,27)
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n/an/a 9.33E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay

J Med Chem 49: 2210-21 (2006)


Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%