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Compile Data Set for Download or QSAR

Found 1104 hits with Last Name = 'lin' and Initial = 'ey'   
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 I


(Homo sapiens (Human))
BDBM50304836
PNG
(1,2-dimethyl-4-(6-methylpyridin-2-yl)-5-(quinoxali...)
Show SMILES Cc1cccc(n1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-15(22-12)17-18(23(2)24(3)19(17)25)13-7-8-14-16(11-13)21-10-9-20-14/h4-11H,1-3H3
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5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304849
PNG
(4-(3-ethylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES CCc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H20N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h5-13H,4H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304835
PNG
(1,2-dimethyl-4-(pyridin-2-yl)-5-(quinoxalin-6-yl)-...)
Show SMILES Cn1c(c(-c2ccccn2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C18H15N5O/c1-22-17(12-6-7-13-15(11-12)21-10-9-20-13)16(18(24)23(22)2)14-5-3-4-8-19-14/h3-11H,1-2H3
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11n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304864
PNG
(4-(3-bromophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES Cn1c(c(-c2cccc(Br)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H15BrN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
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12n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304850
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-vinylphenyl)...)
Show SMILES Cn1c(c(-c2cccc(C=C)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H18N4O/c1-4-14-6-5-7-15(12-14)19-20(24(2)25(3)21(19)26)16-8-9-17-18(13-16)23-11-10-22-17/h4-13H,1H2,2-3H3
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12n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(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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17n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304865
PNG
(CHEMBL607429 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)
Show SMILES Cn1c(c(-c2cccc(NS(C)(=O)=O)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H19N5O3S/c1-24-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(26)25(24)2)13-5-4-6-15(11-13)23-29(3,27)28/h4-12,23H,1-3H3
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19n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304863
PNG
(4-(3-chlorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)
Show SMILES Cn1c(c(-c2cccc(Cl)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H15ClN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
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19n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304853
PNG
(4-(3-methoxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...)
Show SMILES COc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C20H18N4O2/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3
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20n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304840
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-m-tolyl-1H-pyra...)
Show SMILES Cc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C20H18N4O/c1-13-5-4-6-14(11-13)18-19(23(2)24(3)20(18)25)15-7-8-16-17(12-15)22-10-9-21-16/h4-12H,1-3H3
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20n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304858
PNG
(2-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-d...)
Show SMILES Cn1c(c(-c2cccc(CC#N)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H17N5O/c1-25-20(16-6-7-17-18(13-16)24-11-10-23-17)19(21(27)26(25)2)15-5-3-4-14(12-15)8-9-22/h3-7,10-13H,8H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304855
PNG
(4-(3-(methoxymethyl)phenyl)-1,2-dimethyl-5-(quinox...)
Show SMILES COCc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3
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35n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304872
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(thiophen-3-yl)...)
Show SMILES Cn1c(c(-c2ccsc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
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54n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304852
PNG
(1,2-dimethyl-4-(3-(methylthio)phenyl)-5-(quinoxali...)
Show SMILES CSc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C20H18N4OS/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3
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60n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304870
PNG
(4-(furan-3-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H...)
Show SMILES Cn1c(c(-c2ccoc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H14N4O2/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
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73n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304862
PNG
(4-(3-fluorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)
Show SMILES Cn1c(c(-c2cccc(F)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H15FN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
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78n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304839
PNG
(1,2-dimethyl-4-phenyl-5-(quinoxalin-6-yl)-1H-pyraz...)
Show SMILES Cn1c(c(-c2ccccc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H16N4O/c1-22-18(14-8-9-15-16(12-14)21-11-10-20-15)17(19(24)23(22)2)13-6-4-3-5-7-13/h3-12H,1-2H3
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78n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304854
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-(trifluorome...)
Show SMILES Cn1c(c(-c2cccc(c2)C(F)(F)F)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H15F3N4O/c1-26-18(13-6-7-15-16(11-13)25-9-8-24-15)17(19(28)27(26)2)12-4-3-5-14(10-12)20(21,22)23/h3-11H,1-2H3
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111n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304869
PNG
(4-(furan-2-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H...)
Show SMILES Cn1c(c(-c2ccco2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H14N4O2/c1-20-16(11-5-6-12-13(10-11)19-8-7-18-12)15(17(22)21(20)2)14-4-3-9-23-14/h3-10H,1-2H3
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190n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304871
PNG
(1,2-dimethyl-5-(quinoxalin-6-yl)-4-(thiophen-2-yl)...)
Show SMILES Cn1c(c(-c2cccs2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H14N4OS/c1-20-16(11-5-6-12-13(10-11)19-8-7-18-12)15(17(22)21(20)2)14-4-3-9-23-14/h3-10H,1-2H3
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365n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304856
PNG
(4-(3-(hydroxymethyl)phenyl)-1,2-dimethyl-5-(quinox...)
Show SMILES Cn1c(c(-c2cccc(CO)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H18N4O2/c1-23-19(15-6-7-16-17(11-15)22-9-8-21-16)18(20(26)24(23)2)14-5-3-4-13(10-14)12-25/h3-11,25H,12H2,1-2H3
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370n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304859
PNG
(4-(3-acetylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl...)
Show SMILES CC(=O)c1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H18N4O2/c1-13(26)14-5-4-6-15(11-14)19-20(24(2)25(3)21(19)27)16-7-8-17-18(12-16)23-10-9-22-17/h4-12H,1-3H3
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410n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304861
PNG
(CHEMBL593950 | methyl 3-(1,2-dimethyl-3-oxo-5-(qui...)
Show SMILES COC(=O)c1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H18N4O3/c1-24-19(14-7-8-16-17(12-14)23-10-9-22-16)18(20(26)25(24)2)13-5-4-6-15(11-13)21(27)28-3/h4-12H,1-3H3
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440n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304873
PNG
(4-(benzo[c][1,2,5]oxadiazol-5-yl)-1,2-dimethyl-5-(...)
Show SMILES Cn1c(c(-c2ccc3nonc3c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H14N6O2/c1-24-18(12-4-5-13-15(10-12)21-8-7-20-13)17(19(26)25(24)2)11-3-6-14-16(9-11)23-27-22-14/h3-10H,1-2H3
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640n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304866
PNG
(CHEMBL593945 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)
Show SMILES CC(=O)Nc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H19N5O2/c1-13(27)24-16-6-4-5-14(11-16)19-20(25(2)26(3)21(19)28)15-7-8-17-18(12-15)23-10-9-22-17/h4-12H,1-3H3,(H,24,27)
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920n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304875
PNG
(4-(1H-indol-5-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES Cn1c(c(-c2ccc3[nH]ccc3c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H17N5O/c1-25-20(15-4-6-17-18(12-15)24-10-9-23-17)19(21(27)26(25)2)14-3-5-16-13(11-14)7-8-22-16/h3-12,22H,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304874
PNG
(4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxal...)
Show SMILES Cn1c(c(-c2csc3ccccc23)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C21H16N4OS/c1-24-20(13-7-8-16-17(11-13)23-10-9-22-16)19(21(26)25(24)2)15-12-27-18-6-4-3-5-14(15)18/h3-12H,1-2H3
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1.87E+3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304837
PNG
(1,2-dimethyl-4-(pyridin-3-yl)-5-(quinoxalin-6-yl)-...)
Show SMILES Cn1c(c(-c2cccnc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C18H15N5O/c1-22-17(12-5-6-14-15(10-12)21-9-8-20-14)16(18(24)23(22)2)13-4-3-7-19-11-13/h3-11H,1-2H3
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>2.80E+3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304838
PNG
(1,2-dimethyl-4-(2-methylpyridin-4-yl)-5-(quinoxali...)
Show SMILES Cc1cc(ccn1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C19H17N5O/c1-12-10-13(6-7-20-12)17-18(23(2)24(3)19(17)25)14-4-5-15-16(11-14)22-9-8-21-15/h4-11H,1-3H3
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>2.80E+3n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304848
PNG
(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...)
Show SMILES Cn1c(c(-c2cccc(c2)C#N)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H15N5O/c1-24-19(15-6-7-16-17(11-15)23-9-8-22-16)18(20(26)25(24)2)14-5-3-4-13(10-14)12-21/h3-11H,1-2H3
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4.50E+4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304842
PNG
(4-(3-hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...)
Show SMILES Cn1c(c(-c2cccc(O)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H16N4O2/c1-22-18(13-6-7-15-16(11-13)21-9-8-20-15)17(19(25)23(22)2)12-4-3-5-14(24)10-12/h3-11,24H,1-2H3
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5.30E+4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304841
PNG
(4-(2-hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...)
Show SMILES Cn1c(c(-c2ccccc2O)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H16N4O2/c1-22-18(12-7-8-14-15(11-12)21-10-9-20-14)17(19(25)23(22)2)13-5-3-4-6-16(13)24/h3-11,24H,1-2H3
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7.70E+4n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304845
PNG
(4-(3-aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES Cn1c(c(-c2cccc(N)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H17N5O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,20H2,1-2H3
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1.30E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304847
PNG
(2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...)
Show SMILES Cn1c(c(-c2ccccc2C#N)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H15N5O/c1-24-19(13-7-8-16-17(11-13)23-10-9-22-16)18(20(26)25(24)2)15-6-4-3-5-14(15)12-21/h3-11H,1-2H3
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4.50E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304846
PNG
(4-(4-aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES Cn1c(c(-c2ccc(N)cc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H17N5O/c1-23-18(13-5-8-15-16(11-13)22-10-9-21-15)17(19(25)24(23)2)12-3-6-14(20)7-4-12/h3-11H,20H2,1-2H3
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6.40E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304843
PNG
(4-(4-hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...)
Show SMILES Cn1c(c(-c2ccc(O)cc2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H16N4O2/c1-22-18(13-5-8-15-16(11-13)21-10-9-20-15)17(19(25)23(22)2)12-3-6-14(24)7-4-12/h3-11,24H,1-2H3
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9.50E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304844
PNG
(4-(2-aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...)
Show SMILES Cn1c(c(-c2ccccc2N)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C19H17N5O/c1-23-18(12-7-8-15-16(11-12)22-10-9-21-15)17(19(25)24(23)2)13-5-3-4-6-14(13)20/h3-11H,20H2,1-2H3
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9.52E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304851
PNG
(4-(3-isopropylphenyl)-1,2-dimethyl-5-(quinoxalin-6...)
Show SMILES CC(C)c1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C22H22N4O/c1-14(2)15-6-5-7-16(12-15)20-21(25(3)26(4)22(20)27)17-8-9-18-19(13-17)24-11-10-23-18/h5-14H,1-4H3
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>2.80E+6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304868
PNG
(1-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-d...)
Show SMILES CNC(=O)Nc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H20N6O2/c1-22-21(29)25-15-6-4-5-13(11-15)18-19(26(2)27(3)20(18)28)14-7-8-16-17(12-14)24-10-9-23-16/h4-12H,1-3H3,(H2,22,25,29)
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>2.80E+6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304867
PNG
(CHEMBL594409 | N-(3-(1,2-dimethyl-3-oxo-5-(quinoxa...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
Show InChI InChI=1S/C21H21N5O3S/c1-4-30(28,29)24-16-7-5-6-14(12-16)19-20(25(2)26(3)21(19)27)15-8-9-17-18(13-15)23-11-10-22-17/h5-13,24H,4H2,1-3H3
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>2.80E+6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304860
PNG
(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...)
Show SMILES Cn1c(c(-c2cccc(c2)C(N)=O)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H17N5O2/c1-24-18(13-6-7-15-16(11-13)23-9-8-22-15)17(20(27)25(24)2)12-4-3-5-14(10-12)19(21)26/h3-11H,1-2H3,(H2,21,26)
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>2.80E+6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304857
PNG
(4-(3-(aminomethyl)phenyl)-1,2-dimethyl-5-(quinoxal...)
Show SMILES Cn1c(c(-c2cccc(CN)c2)c(=O)n1C)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H19N5O/c1-24-19(15-6-7-16-17(11-15)23-9-8-22-16)18(20(26)25(24)2)14-5-3-4-13(10-14)12-21/h3-11H,12,21H2,1-2H3
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>2.80E+6n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
BindingDB Entry DOI: 10.7270/Q2RN37ZK
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263757
PNG
((E)-3-(4-(3-(1-isopropylpiperidin-4-ylamino)phenyl...)
Show SMILES CC(C)N1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C29H33F6N3O2S/c1-19(2)37-12-10-21(11-13-37)36-22-4-3-5-23(18-22)41-24-8-6-20(7-9-25(39)38-14-16-40-17-15-38)26(28(30,31)32)27(24)29(33,34)35/h3-9,18-19,21,36H,10-17H2,1-2H3/b9-7+
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n/an/a 0.350n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50264878
PNG
((cis)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-enyl)...)
Show SMILES OC(=O)[C@@H]1CC[C@H](COc2ccccc2Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20+
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n/an/a 0.400n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5245-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263755
PNG
((E)-3-(4-(3-(1-methylpiperidin-4-ylamino)phenylthi...)
Show SMILES CN1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C27H29F6N3O2S/c1-35-11-9-19(10-12-35)34-20-3-2-4-21(17-20)39-22-7-5-18(6-8-23(37)36-13-15-38-16-14-36)24(26(28,29)30)25(22)27(31,32)33/h2-8,17,19,34H,9-16H2,1H3/b8-6+
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n/an/a 0.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263657
PNG
((cis)-4-(3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C28H28F6N2O4S/c29-27(30,31)24-17(7-11-23(37)36-12-14-40-15-13-36)6-10-22(25(24)28(32,33)34)41-21-3-1-2-20(16-21)35-19-8-4-18(5-9-19)26(38)39/h1-3,6-7,10-11,16,18-19,35H,4-5,8-9,12-15H2,(H,38,39)/b11-7+/t18-,19+
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n/an/a 0.5n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50264880
PNG
((trans)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-eny...)
Show SMILES OC(=O)[C@H]1CC[C@H](COc2ccccc2Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20-
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n/an/a 0.600n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5245-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263805
PNG
((E)-1-morpholino-3-(4-(3-(1-propylpiperidin-4-ylam...)
Show SMILES CCCN1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C29H33F6N3O2S/c1-2-12-37-13-10-21(11-14-37)36-22-4-3-5-23(19-22)41-24-8-6-20(7-9-25(39)38-15-17-40-18-16-38)26(28(30,31)32)27(24)29(33,34)35/h3-9,19,21,36H,2,10-18H2,1H3/b9-7+
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n/an/a 0.900n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263806
PNG
((E)-3-(4-(3-(8-methyl-8-azabicyclo[3.2.1]octan-3-y...)
Show SMILES CN1C2CCC1CC(C2)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C29H31F6N3O2S/c1-37-21-7-8-22(37)16-20(15-21)36-19-3-2-4-23(17-19)41-24-9-5-18(6-10-25(39)38-11-13-40-14-12-38)26(28(30,31)32)27(24)29(33,34)35/h2-6,9-10,17,20-22,36H,7-8,11-16H2,1H3/b10-6+
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n/an/a 0.940n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50263710
PNG
((trans)-4-((3-(4-((E)-3-morpholino-3-oxoprop-1-eny...)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2cccc(Sc3ccc(\C=C\C(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C29H30F6N2O4S/c30-28(31,32)25-19(9-11-24(38)37-12-14-41-15-13-37)8-10-23(26(25)29(33,34)35)42-22-3-1-2-21(16-22)36-17-18-4-6-20(7-5-18)27(39)40/h1-3,8-11,16,18,20,36H,4-7,12-15,17H2,(H,39,40)/b11-9+/t18-,20-
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n/an/a 1.40n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method


Bioorg Med Chem Lett 18: 5249-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.061
BindingDB Entry DOI: 10.7270/Q2CV4HK0
More data for this
Ligand-Target Pair
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