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PubMed code 11855979

Compile data set for download or QSAR
Found 13 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))
BDBM50110208
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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n/an/a 94n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110205
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H15N3O4/c26-22(27)14-6-4-13(5-7-14)21-24-19(20(25-21)16-3-1-2-10-23-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H,24,25)(H,26,27)
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110202
PNG
((4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-...)
Show SMILES OCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H17N3O3/c26-12-14-4-6-15(7-5-14)22-24-20(21(25-22)17-3-1-2-10-23-17)16-8-9-18-19(11-16)28-13-27-18/h1-11,26H,12-13H2,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110200
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H14FN3O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(26)27/h1-12H,(H,24,25)(H,26,27)
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110206
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-...)
Show SMILES C1Cc2nc(c(-c3ccc4OCOc4c3)n2C1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2
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n/an/a 460n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110199
PNG
(4-(4-(4-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccccn1
Show InChI InChI=1S/C21H14FN3O2/c22-16-10-8-13(9-11-16)18-19(17-3-1-2-12-23-17)25-20(24-18)14-4-6-15(7-5-14)21(26)27/h1-12H,(H,24,25)(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110201
PNG
(5-(4-Fluoro-phenyl)-6-pyridin-2-yl-2,3-dihydro-imi...)
Show SMILES Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccccn1
Show InChI InChI=1S/C16H12FN3S/c17-12-6-4-11(5-7-12)15-14(13-3-1-2-8-18-13)19-16-20(15)9-10-21-16/h1-8H,9-10H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110197
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES N#Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H14N4O2/c23-12-14-4-6-15(7-5-14)22-25-20(21(26-22)17-3-1-2-10-24-17)16-8-9-18-19(11-16)28-13-27-18/h1-11H,13H2,(H,25,26)
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n/an/a 2.95E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110198
PNG
(3-(4-Methoxy-phenyl)-2-pyridin-2-yl-6,7-dihydro-5H...)
Show SMILES COc1ccc(cc1)-c1c(nc2CCCn12)-c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-22-14-9-7-13(8-10-14)18-17(15-5-2-3-11-19-15)20-16-6-4-12-21(16)18/h2-3,5,7-11H,4,6,12H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110203
PNG
(3-(4-Fluoro-phenyl)-2-pyridin-2-yl-6,7-dihydro-5H-...)
Show SMILES Fc1ccc(cc1)-c1c(nc2CCCn12)-c1ccccn1
Show InChI InChI=1S/C17H14FN3/c18-13-8-6-12(7-9-13)17-16(14-4-1-2-10-19-14)20-15-5-3-11-21(15)17/h1-2,4,6-10H,3,5,11H2
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n/an/a 5.80E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110207
PNG
(3-(4-Fluoro-phenyl)-2-pyridin-3-yl-6,7-dihydro-5H-...)
Show SMILES Fc1ccc(cc1)-c1c(nc2CCCn12)-c1cccnc1
Show InChI InChI=1S/C17H14FN3/c18-14-7-5-12(6-8-14)17-16(13-3-1-9-19-11-13)20-15-4-2-10-21(15)17/h1,3,5-9,11H,2,4,10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50110204
PNG
(5-(4-Fluoro-phenyl)-6-pyridin-4-yl-2,3-dihydro-imi...)
Show SMILES Fc1ccc(cc1)-c1c(nc2SCCn12)-c1ccncc1
Show InChI InChI=1S/C16H12FN3S/c17-13-3-1-12(2-4-13)15-14(11-5-7-18-8-6-11)19-16-20(15)9-10-21-16/h1-8H,9-10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Activin like receptor kinase 5, TGF beta type I receptor


J Med Chem 45: 999-1001 (2002)


BindingDB Entry DOI: 10.7270/Q2154GBF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%