Compile Data Set for Download or QSAR

Found 1543 hits with Last Name = 'lin' and Initial = 'ey'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50304836 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304849 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304835 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304864 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304850 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50110208 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50304865 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304863 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304853 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304840 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304858 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304855 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50304872 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304852 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304870 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304862 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304839 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304854 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304869 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304871 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304856 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304859 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304861 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304873 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304866 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304875 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304874 (4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxal...) Show SMILES Cn1c(c(-c2csc3ccccc23)c(=O)n1C)-c1ccc2nccnc2c1 |(1.19,-27.99,;-.28,-28.46,;-.76,-29.93,;-2.31,-29.93,;-3.09,-31.25,;-2.47,-32.65,;-3.62,-33.67,;-4.95,-32.89,;-6.41,-33.35,;-7.54,-32.32,;-7.21,-30.81,;-5.74,-30.35,;-4.61,-31.39,;-2.78,-28.46,;-4.25,-27.98,;-1.54,-27.55,;-1.54,-26.01,;.14,-31.17,;-.49,-32.58,;.41,-33.83,;1.95,-33.67,;2.85,-34.91,;4.39,-34.75,;5.01,-33.33,;4.1,-32.09,;2.58,-32.26,;1.67,-31.01,)| 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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304837 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304838 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304848 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304842 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304841 (4-(2-hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-y...) Show SMILES Cn1c(c(-c2ccccc2O)c(=O)n1C)-c1ccc2nccnc2c1 |(.31,-34.54,;-.32,-33.14,;-1.83,-32.82,;-1.99,-31.29,;-3.33,-30.52,;-4.67,-31.29,;-6,-30.52,;-6,-28.97,;-4.67,-28.2,;-3.34,-28.97,;-2,-28.19,;-.59,-30.66,;-.27,-29.15,;.45,-31.8,;1.98,-31.64,;-3.15,-33.61,;-4.5,-32.86,;-5.82,-33.65,;-5.78,-35.19,;-7.1,-35.98,;-7.07,-37.53,;-5.72,-38.27,;-4.4,-37.48,;-4.43,-35.94,;-3.12,-35.15,)| 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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304845 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304847 (2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...) Show SMILES Cn1c(c(-c2ccccc2C#N)c(=O)n1C)-c1ccc2nccnc2c1 |(.9,-4.47,;.27,-3.07,;-1.24,-2.75,;-1.4,-1.22,;-2.74,-.45,;-4.08,-1.22,;-5.41,-.45,;-5.41,1.1,;-4.08,1.87,;-2.74,1.1,;-1.41,1.88,;-.08,2.65,;0,-.59,;.32,.92,;1.04,-1.73,;2.57,-1.57,;-2.56,-3.54,;-3.9,-2.79,;-5.22,-3.58,;-5.19,-5.12,;-6.51,-5.92,;-6.48,-7.46,;-5.13,-8.2,;-3.81,-7.41,;-3.84,-5.87,;-2.53,-5.08,)| 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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304846 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304843 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304844 (4-(2-aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)...) Show SMILES Cn1c(c(-c2ccccc2N)c(=O)n1C)-c1ccc2nccnc2c1 |(-.29,-47.9,;-.91,-46.49,;-2.42,-46.17,;-2.58,-44.64,;-3.92,-43.87,;-5.26,-44.64,;-6.59,-43.87,;-6.59,-42.33,;-5.26,-41.56,;-3.93,-42.32,;-2.6,-41.54,;-1.18,-44.01,;-.86,-42.51,;-.15,-45.16,;1.39,-44.99,;-3.74,-46.97,;-5.09,-46.22,;-6.41,-47.01,;-6.37,-48.55,;-7.69,-49.34,;-7.66,-50.88,;-6.31,-51.63,;-4.99,-50.83,;-5.02,-49.3,;-3.71,-48.5,)| 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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304851 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304868 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304867 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304860 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-1 (Homo sapiens (Human))	BDBM50304857 (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	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50263757 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50264878 ((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 |r,wU:6.6,3.2,(-2.85,-20.05,;-4.18,-20.83,;-5.52,-20.06,;-4.17,-22.37,;-5.51,-23.16,;-5.5,-24.69,;-4.16,-25.44,;-4.16,-26.98,;-2.82,-27.75,;-2.82,-29.29,;-4.15,-30.06,;-4.15,-31.61,;-2.82,-32.38,;-1.48,-31.6,;-1.48,-30.05,;-.15,-29.28,;1.18,-30.04,;1.18,-31.58,;2.52,-32.34,;3.85,-31.57,;5.19,-32.33,;6.52,-31.56,;7.86,-32.32,;9.19,-31.54,;7.86,-33.86,;6.53,-34.62,;6.53,-36.16,;7.87,-36.93,;9.2,-36.15,;9.2,-34.61,;3.84,-30.02,;2.5,-29.26,;2.49,-27.72,;2.48,-26.18,;.95,-27.73,;4.03,-27.72,;5.17,-29.24,;6.49,-28.46,;5.95,-30.57,;5.16,-27.7,;-2.83,-24.68,;-2.83,-23.14,)| 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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Integrin alpha-L (Homo sapiens (Human))	BDBM50263657 ((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 |r,wU:6.9,3.2,(17.88,-22.83,;16.55,-23.6,;15.21,-22.84,;16.55,-25.15,;15.22,-25.92,;15.22,-27.47,;16.56,-28.22,;17.89,-27.45,;17.89,-25.92,;16.57,-29.77,;17.9,-30.53,;17.9,-32.08,;19.23,-32.85,;20.57,-32.08,;20.57,-30.53,;21.9,-29.75,;23.23,-30.52,;23.23,-32.05,;24.57,-32.82,;25.9,-32.04,;27.24,-32.8,;28.57,-32.03,;29.91,-32.79,;29.92,-34.33,;31.23,-32.01,;32.57,-32.78,;33.9,-32.01,;33.89,-30.47,;32.56,-29.71,;31.22,-30.48,;25.88,-30.5,;24.55,-29.74,;24.54,-28.2,;24.53,-26.65,;23,-28.21,;26.08,-28.19,;27.37,-30.09,;28.85,-29.69,;26.96,-28.61,;27.77,-31.58,;19.23,-29.76,)| 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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50263755 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50264880 ((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 |r,wU:6.6,wD:3.2,(-2.92,-34.03,;-4.25,-34.8,;-5.59,-34.04,;-4.24,-36.35,;-5.58,-37.13,;-5.57,-38.67,;-4.23,-39.42,;-4.23,-40.96,;-2.89,-41.73,;-2.89,-43.27,;-4.22,-44.04,;-4.22,-45.58,;-2.89,-46.35,;-1.55,-45.58,;-1.55,-44.03,;-.22,-43.26,;1.11,-44.02,;1.11,-45.56,;2.45,-46.32,;3.78,-45.55,;5.12,-46.31,;6.45,-45.53,;7.79,-46.3,;9.12,-45.52,;7.79,-47.84,;6.46,-48.6,;6.46,-50.13,;7.8,-50.91,;9.13,-50.13,;9.13,-48.59,;3.77,-44,;2.43,-43.24,;2.42,-41.7,;2.41,-40.16,;.88,-41.71,;3.96,-41.69,;5.1,-43.22,;6.42,-42.44,;5.88,-44.55,;5.09,-41.67,;-2.9,-38.66,;-2.9,-37.12,)| 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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50263805 ((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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50263806 ((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 |THB:9:7:1:3.4| 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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/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
Tau-tubulin kinase 2 (Homo sapiens (Human))	CHEMBL5283456 Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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