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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'fouchet' and Initial = 'mh'   
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
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271572
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
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n/an/a 3n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271622
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151362
PNG
(4-(6-Methyl-pyridin-2-yl)-5-[1,5]naphthyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5S/c1-10-4-2-5-13(20-10)15-16(23-17(18)22-15)14-8-7-11-12(21-14)6-3-9-19-11/h2-9H,1H3,(H2,18,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151363
PNG
(4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151357
PNG
(2-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyri...)
Show SMILES c1[nH]nc(c1-c1ccc2ncccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5/c1-2-8-18-15(4-1)16-11(10-19-21-16)12-6-7-13-14(20-12)5-3-9-17-13/h1-10H,(H,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151363
PNG
(4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118668
PNG
(CHEMBL3617086)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151353
PNG
(4-(4-Fluoro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151362
PNG
(4-(6-Methyl-pyridin-2-yl)-5-[1,5]naphthyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5S/c1-10-4-2-5-13(20-10)15-16(23-17(18)22-15)14-8-7-11-12(21-14)6-3-9-19-11/h2-9H,1H3,(H2,18,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118669
PNG
(CHEMBL3617083)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271571
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C22H22ClN3O2S/c23-21-5-7-22(8-6-21)29(27,28)26-15-13-25(14-16-26)17-18-1-3-19(4-2-18)20-9-11-24-12-10-20/h1-12H,13-17H2
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118665
PNG
(CHEMBL3617085)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118672
PNG
(CHEMBL3617082)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293525
PNG
(5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)
Show SMILES Cc1csc2nc(nc(Nc3ccncc3)c12)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293515
PNG
(2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1csc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-10-23-17(19-11)16-21-14-5-3-2-4-13(14)15(22-16)20-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151362
PNG
(4-(6-Methyl-pyridin-2-yl)-5-[1,5]naphthyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5S/c1-10-4-2-5-13(20-10)15-16(23-17(18)22-15)14-8-7-11-12(21-14)6-3-9-19-11/h2-9H,1H3,(H2,18,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.019-0.032)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151346
PNG
(5-(1,5-naphthyridin-2-yl)-4-(pyridin-2-yl)thiazol-...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5S/c17-16-21-14(12-4-1-2-8-19-12)15(22-16)13-7-6-10-11(20-13)5-3-9-18-10/h1-9H,(H2,17,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151363
PNG
(4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.020-0.026)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.020-0.026)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271621
PNG
(1-[4-(Trifluoromethoxy)phenylcarbonyl]-4-[4-(dimet...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H26F3N3O2/c1-26(2)15-17-3-5-18(6-4-17)16-27-11-13-28(14-12-27)21(29)19-7-9-20(10-8-19)30-22(23,24)25/h3-10H,11-16H2,1-2H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118524
PNG
(CHEMBL3617080)
Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
Show InChI InChI=1/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293526
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[3,...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2sccc2n1
Show InChI InChI=1S/C17H13N5S/c1-11-3-2-4-14(19-11)16-21-13-7-10-23-15(13)17(22-16)20-12-5-8-18-9-6-12/h2-10H,1H3,(H,18,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293527
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinolin-...)
Show SMILES Cc1cccc(n1)-c1cc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4/c1-14-5-4-8-18(22-14)20-13-19(23-15-9-11-21-12-10-15)16-6-2-3-7-17(16)24-20/h2-13H,1H3,(H,21,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118588
PNG
(CHEMBL3617095)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118523
PNG
(CHEMBL3617079)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293516
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazoli...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293520
PNG
(CHEMBL537968 | N-(1H-indazol-5-yl)-2-(6-methylpyri...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271529
PNG
(CHEMBL483314 | N-[2-(4-(4-Dimethylaminomethylpheny...)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151353
PNG
(4-(4-Fluoro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151354
PNG
(5-(8-Methyl-[1,5]naphthyridin-2-yl)-4-pyridin-2-yl...)
Show SMILES Cc1ccnc2ccc(nc12)-c1sc(N)nc1-c1ccccn1
Show InChI InChI=1S/C17H13N5S/c1-10-7-9-20-12-5-6-13(21-14(10)12)16-15(22-17(18)23-16)11-4-2-3-8-19-11/h2-9H,1H3,(H2,18,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.021-0.042)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151357
PNG
(2-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyri...)
Show SMILES c1[nH]nc(c1-c1ccc2ncccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5/c1-2-8-18-15(4-1)16-11(10-19-21-16)12-6-7-13-14(20-12)5-3-9-17-13/h1-10H,(H,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.029-0.032)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118610
PNG
(CHEMBL3617102)
Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccoc4)cc3=O)c2C#N)cc1
Show InChI InChI=1S/C19H14ClN5O2/c20-14-3-1-12(2-4-14)10-22-18-16(9-21)19-23-15(7-13-5-6-27-11-13)8-17(26)25(19)24-18/h1-6,8,11,23H,7,10H2,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118665
PNG
(CHEMBL3617085)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271620
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271623
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(imidazol-1-yl)phe...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118607
PNG
(CHEMBL3617098)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-2-3-4-14-9-16(25)24-18(22-14)15(10-20)17(23-24)21-11-12-5-7-13(19)8-6-12/h5-9,22H,2-4,11H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151346
PNG
(5-(1,5-naphthyridin-2-yl)-4-(pyridin-2-yl)thiazol-...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5S/c17-16-21-14(12-4-1-2-8-19-12)15(22-16)13-7-6-10-11(20-13)5-3-9-18-10/h1-9H,(H2,17,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.038-0.042)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293519
PNG
(2-(6-methylpyridin-2-yl)-N-(pyrimidin-4-yl)quinazo...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncn2)c2ccccc2n1
Show InChI InChI=1S/C18H14N6/c1-12-5-4-8-15(21-12)18-22-14-7-3-2-6-13(14)17(24-18)23-16-9-10-19-11-20-16/h2-11H,1H3,(H,19,20,22,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271619
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClN3O/c1-23(2)15-17-3-5-18(6-4-17)16-24-11-13-25(14-12-24)21(26)19-7-9-20(22)10-8-19/h3-10H,11-16H2,1-2H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151353
PNG
(4-(4-Fluoro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.040-0.044)


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293514
PNG
(2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-am...)
Show SMILES Clc1cccc(c1)-c1nc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C19H13ClN4/c20-14-5-3-4-13(12-14)18-23-17-7-2-1-6-16(17)19(24-18)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118669
PNG
(CHEMBL3617083)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50151357
PNG
(2-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyri...)
Show SMILES c1[nH]nc(c1-c1ccc2ncccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5/c1-2-8-18-15(4-1)16-11(10-19-21-16)12-6-7-13-14(20-12)5-3-9-17-13/h1-10H,(H,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells


J Med Chem 47: 4494-506 (2004)


Article DOI: 10.1021/jm0400247
BindingDB Entry DOI: 10.7270/Q2VQ325T
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118521
PNG
(CHEMBL3617077)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118522
PNG
(CHEMBL3617078)
Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50293527
PNG
(2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinolin-...)
Show SMILES Cc1cccc(n1)-c1cc(Nc2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4/c1-14-5-4-8-18(22-14)20-13-19(23-15-9-11-21-12-10-15)16-6-2-3-7-17(16)24-20/h2-13H,1H3,(H,21,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells by luciferase assay


Bioorg Med Chem Lett 19: 2277-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497
More data for this
Ligand-Target Pair
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