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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'huet' and Initial = 's'   
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
Papain


(Carica papaya)		BDBM50213272
PNG
(CHEBI:6426 | Leupeptin)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50553988
PNG
(Antipain)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(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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n/an/a 4n/an/an/an/an/an/a



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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28691
PNG
(5-methyl-2-({3-[(7-methyl-1H-indole-1-)sulfonyl]be...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(C)c23)c(c1)C(O)=O
Show InChI InChI=1S/C24H20N2O5S/c1-15-9-10-21(20(13-15)24(28)29)25-23(27)18-7-4-8-19(14-18)32(30,31)26-12-11-17-6-3-5-16(2)22(17)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 4n/a 79n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28674
PNG
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(H,31,32)
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n/an/a 4n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28669
PNG
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O5S/c25-24(26,27)18-8-9-21(20(13-18)23(31)32)28-22(30)16-6-3-7-19(12-16)35(33,34)29-11-10-15-4-1-2-5-17(15)14-29/h1-9,12-13H,10-11,14H2,(H,28,30)(H,31,32)
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n/an/a 5n/a 158n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28670
PNG
(4-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-20(23(28)29)21(13-18)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 5n/a 158n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 5n/a 3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
TGF-beta receptor type-1


(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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n/an/a 6n/an/an/an/an/an/a



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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28695
PNG
(5-chloro-2-({3-[(4-methoxy-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1cccc2n(ccc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C23H17ClN2O6S/c1-32-21-7-3-6-20-17(21)10-11-26(20)33(30,31)16-5-2-4-14(12-16)22(27)25-19-9-8-15(24)13-18(19)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 6n/a 158n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28682
PNG
(5-methyl-2-({3-[(4-methyl-1H-indole-1-)sulfonyl]be...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3c(C)cccc23)c(c1)C(O)=O
Show InChI InChI=1S/C24H20N2O5S/c1-15-9-10-21(20(13-15)24(28)29)25-23(27)17-6-4-7-18(14-17)32(30,31)26-12-11-19-16(2)5-3-8-22(19)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 6n/a 20n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50553989
PNG
(CHEMBL4764505)
Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O |r|
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28667
PNG
(5-bromo-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-su...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19BrN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 8n/a 200n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28666
PNG
(5-chloro-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H19ClN2O5S/c24-18-8-9-21(20(13-18)23(28)29)25-22(27)16-6-3-7-19(12-16)32(30,31)26-11-10-15-4-1-2-5-17(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)
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n/an/a 8n/a 126n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28684
PNG
(2-({3-[(4-methoxy-1H-indole-1-)sulfonyl]benzene}am...)
Show SMILES COc1cccc2n(ccc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
Show InChI InChI=1S/C24H20N2O6S/c1-15-9-10-20(19(13-15)24(28)29)25-23(27)16-5-3-6-17(14-16)33(30,31)26-12-11-18-21(26)7-4-8-22(18)32-2/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 10n/a 40n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28685
PNG
(5-methyl-2-({3-[(5-methyl-1H-indole-1-)sulfonyl]be...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cc(C)ccc23)c(c1)C(O)=O
Show InChI InChI=1S/C24H20N2O5S/c1-15-7-9-22-17(12-15)10-11-26(22)32(30,31)19-5-3-4-18(14-19)23(27)25-21-8-6-16(2)13-20(21)24(28)29/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 10n/a 32n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28688
PNG
(5-methyl-2-({3-[(6-methyl-1H-indole-1-)sulfonyl]be...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(C)cc23)c(c1)C(O)=O
Show InChI InChI=1S/C24H20N2O5S/c1-15-7-9-21(20(12-15)24(28)29)25-23(27)18-4-3-5-19(14-18)32(30,31)26-11-10-17-8-6-16(2)13-22(17)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 10n/a 50n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(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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n/an/a 10n/an/an/an/an/an/a



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-1


(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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n/an/a 10n/an/an/an/an/an/a



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-1


(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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n/an/a 10n/an/an/an/an/an/a



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-1


(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 10n/an/an/an/an/an/a



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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28683
PNG
(2-({3-[(4-bromo-1H-indole-1-)sulfonyl]benzene}amid...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3c(Br)cccc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5S/c1-14-8-9-20(18(12-14)23(28)29)25-22(27)15-4-2-5-16(13-15)32(30,31)26-11-10-17-19(24)6-3-7-21(17)26/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 10n/a 13n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28675
PNG
(2-[(3-{[5-(carboxymethoxy)-1,2,3,4-tetrahydroisoqu...)
Show SMILES OC(=O)COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C25H21ClN2O8S/c26-17-7-8-21(20(12-17)25(32)33)27-24(31)15-3-1-5-18(11-15)37(34,35)28-10-9-19-16(13-28)4-2-6-22(19)36-14-23(29)30/h1-8,11-12H,9-10,13-14H2,(H,27,31)(H,29,30)(H,32,33)
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n/an/a 10n/a>1.00E+4n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(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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n/an/a 10n/an/an/an/an/an/a



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-1


(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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n/an/a 10n/an/an/an/an/an/a



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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28676
PNG
(5-chloro-2-({3-[(6-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-19-7-5-17-14-27(10-9-15(17)11-19)34(31,32)20-4-2-3-16(12-20)23(28)26-22-8-6-18(25)13-21(22)24(29)30/h2-8,11-13H,9-10,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 10n/a 794n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28697
PNG
(5-chloro-2-({3-[(6-methoxy-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1ccc2ccn(c2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C23H17ClN2O6S/c1-32-17-7-5-14-9-10-26(21(14)13-17)33(30,31)18-4-2-3-15(11-18)22(27)25-20-8-6-16(24)12-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 13n/a 100n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28696
PNG
(5-chloro-2-({3-[(5-methoxy-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C23H17ClN2O6S/c1-32-17-6-8-21-14(11-17)9-10-26(21)33(30,31)18-4-2-3-15(12-18)22(27)25-20-7-5-16(24)13-19(20)23(28)29/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 13n/a 158n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28672
PNG
(5-chloro-2-({3-[(5-methoxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H21ClN2O6S/c1-33-22-7-3-5-16-14-27(11-10-19(16)22)34(31,32)18-6-2-4-15(12-18)23(28)26-21-9-8-17(25)13-20(21)24(29)30/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)(H,29,30)
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n/an/a 13n/a 1.26E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28665
PNG
(5-methyl-2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-s...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c(c1)C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-9-10-22(21(13-16)24(28)29)25-23(27)18-7-4-8-20(14-18)32(30,31)26-12-11-17-5-2-3-6-19(17)15-26/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)(H,28,29)
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n/an/a 13n/a 200n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28692
PNG
(2-({3-[(7-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(Cl)c23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-8-9-20(18(12-14)23(28)29)25-22(27)16-5-2-6-17(13-16)32(30,31)26-11-10-15-4-3-7-19(24)21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 16n/a 158n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28698
PNG
(5-chloro-2-({3-[(5-methoxy-4-methyl-1H-indole-1-)s...)
Show SMILES COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H19ClN2O6S/c1-14-18-10-11-27(21(18)8-9-22(14)33-2)34(31,32)17-5-3-4-15(12-17)23(28)26-20-7-6-16(25)13-19(20)24(29)30/h3-13H,1-2H3,(H,26,28)(H,29,30)
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n/an/a 16n/a 16n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(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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n/an/a 16n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28679
PNG
(5-chloro-2-({3-[(7-chloro-8-methyl-1,2,3,4-tetrahy...)
Show SMILES Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O5S/c1-14-20-13-28(10-9-15(20)5-7-21(14)26)34(32,33)18-4-2-3-16(11-18)23(29)27-22-8-6-17(25)12-19(22)24(30)31/h2-8,11-12H,9-10,13H2,1H3,(H,27,29)(H,30,31)
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n/an/a 16n/a 316n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28677
PNG
(5-chloro-2-({3-[(7-fluoro-1,2,3,4-tetrahydroisoqui...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1
Show InChI InChI=1S/C23H18ClFN2O5S/c24-17-5-7-21(20(12-17)23(29)30)26-22(28)15-2-1-3-19(11-15)33(31,32)27-9-8-14-4-6-18(25)10-16(14)13-27/h1-7,10-12H,8-9,13H2,(H,26,28)(H,29,30)
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n/an/a 16n/a 1.00E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50553990
PNG
(CHEMBL4788595)
Show SMILES [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00201
BindingDB Entry DOI: 10.7270/Q2JW8JJC
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))		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))		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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28673
PNG
(5-chloro-2-({3-[(5-hydroxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1
Show InChI InChI=1S/C23H19ClN2O6S/c24-16-7-8-20(19(12-16)23(29)30)25-22(28)14-3-1-5-17(11-14)33(31,32)26-10-9-18-15(13-26)4-2-6-21(18)27/h1-8,11-12,27H,9-10,13H2,(H,25,28)(H,29,30)
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n/an/a 20n/a 2.00E+3n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28686
PNG
(2-({3-[(5-chloro-1H-indole-1-)sulfonyl]benzene}ami...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cc(Cl)ccc23)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN2O5S/c1-14-5-7-20(19(11-14)23(28)29)25-22(27)16-3-2-4-18(13-16)32(30,31)26-10-9-15-12-17(24)6-8-21(15)26/h2-13H,1H3,(H,25,27)(H,28,29)
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n/an/a 20n/a 50n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28694
PNG
(2-({3-[(5-methoxy-4-methyl-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
Show InChI InChI=1S/C25H22N2O6S/c1-15-7-8-21(20(13-15)25(29)30)26-24(28)17-5-4-6-18(14-17)34(31,32)27-12-11-19-16(2)23(33-3)10-9-22(19)27/h4-14H,1-3H3,(H,26,28)(H,29,30)
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n/an/a 20n/a 13n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...

Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(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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n/an/a 20n/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 (0.020-0.026)

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-1


(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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n/an/a 20n/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 (0.020-0.026)

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-1


(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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n/an/a 20n/an/an/an/an/an/a



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-1


(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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n/an/a 20n/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 (0.019-0.032)

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-1


(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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n/an/a 20n/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
TGF-beta receptor type-1


(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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n/an/a 22n/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
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