Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'clayton' and Initial = 'jr'   

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
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063687 (CHEMBL3397339) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063689 (CHEMBL3397337) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063755 (CHEMBL3397341) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)	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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063688 (CHEMBL3397338) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063686 (CHEMBL3397340) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063690 (CHEMBL3397336) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063754 (CHEMBL3397342) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(H,25,26)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063689 (CHEMBL3397337) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063687 (CHEMBL3397339) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063691 (CHEMBL3397335) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063755 (CHEMBL3397341) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)	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	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063752 (CHEMBL3397343) Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063751 (CHEMBL3397344) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)	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	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063693 (CHEMBL3397333) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063750 (CHEMBL3397345) Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063690 (CHEMBL3397336) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063692 (CHEMBL3397334) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063688 (CHEMBL3397338) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063686 (CHEMBL3397340) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063695 (CHEMBL3397346) Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063691 (CHEMBL3397335) Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)17-8-15(4-7-20(17)23)11-22-10-14(3)18-9-16(5-6-19(18)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063694 (CHEMBL3397347) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063754 (CHEMBL3397342) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C(C)(C)C)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C22H25NO4/c1-14-11-23(12-15-5-8-20(24)18(9-15)22(2,3)4)19-7-6-16(10-17(14)19)27-13-21(25)26/h5-11,24H,12-13H2,1-4H3,(H,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063693 (CHEMBL3397333) Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C20H21NO4/c1-13(2)17-9-14(3-6-19(17)22)11-21-8-7-15-10-16(4-5-18(15)21)25-12-20(23)24/h3-10,13,22H,11-12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063692 (CHEMBL3397334) Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)ccc23)ccc1O Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-7-20(18)23)11-22-14(3)8-16-10-17(5-6-19(16)22)26-12-21(24)25/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063751 (CHEMBL3397344) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C23H25NO4/c1-15-12-24(21-8-7-18(11-19(15)21)28-14-23(26)27)13-16-6-9-22(25)20(10-16)17-4-2-3-5-17/h6-12,17,25H,2-5,13-14H2,1H3,(H,26,27)	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	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063752 (CHEMBL3397343) Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063750 (CHEMBL3397345) Show SMILES Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H29NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h7-10,12-14,18,27H,2-6,11,15-16H2,1H3,(H,28,29)	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	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063695 (CHEMBL3397346) Show SMILES Cc1cn(Cc2ccc(O)c(c2)-c2ccccc2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H21NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h2-13,26H,14-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063694 (CHEMBL3397347) Show SMILES Cc1cn(Cc2ccc(O)c(c2)C2CCCCC2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C24H27NO4/c1-16-13-25(22-9-8-19(12-20(16)22)29-15-24(27)28)14-17-7-10-23(26)21(11-17)18-5-3-2-4-6-18/h7-13,18,26H,2-6,14-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by compet...				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398506 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(1-methyl-4-{[1-(p...) Show SMILES Cn1cnc2c(Nc3ccn(n3)-c3ccccn3)cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:24.29,21.22,wD:29.32,(5.56,.1,;5.16,-1.39,;6.07,-2.63,;5.16,-3.88,;3.7,-3.4,;2.36,-4.17,;2.36,-5.71,;1.03,-6.48,;.71,-7.99,;-.82,-8.15,;-1.45,-6.74,;-.3,-5.71,;-2.99,-6.74,;-3.76,-5.4,;-5.3,-5.4,;-6.07,-6.74,;-5.3,-8.07,;-3.76,-8.07,;1.03,-3.4,;1.03,-1.86,;-.3,-1.09,;-.3,.45,;1.03,1.22,;1.03,2.76,;-.3,3.53,;-1.64,2.76,;-1.64,1.22,;-.3,5.07,;-1.64,5.84,;-1.64,7.38,;-.3,8.15,;-2.97,8.15,;-2.97,9.69,;-4.3,7.38,;-4.3,8.92,;2.36,-1.09,;3.7,-1.86,)| Show InChI InChI=1S/C25H28F3N7O2/c1-34-15-31-24-19(32-22-9-11-35(33-22)23-4-2-3-10-29-23)12-18(13-20(24)34)37-17-7-5-16(6-8-17)30-14-21(36)25(26,27)28/h2-4,9-13,15-17,21,30,36H,5-8,14H2,1H3,(H,32,33)/t16-,17+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398504 ((2R)-1,1,1-Trifluoro-3-[(cis-1-methyl-4-{[1-methyl...) Show SMILES Cn1cnc2c(Nc3cc[nH]n3)cc(O[C@H]3CCC(C)(CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:15.15,wD:24.26,(5.26,.52,;4.86,-.97,;5.76,-2.21,;4.86,-3.46,;3.4,-2.98,;2.06,-3.75,;2.06,-5.29,;.73,-6.06,;.4,-7.57,;-1.13,-7.73,;-1.75,-6.32,;-.6,-5.29,;.73,-2.98,;.73,-1.44,;-.61,-.67,;-.61,.87,;-1.94,1.64,;-1.94,3.18,;-.61,3.95,;.16,5.28,;.73,3.18,;.73,1.64,;-1.7,5.55,;-3.19,5.15,;-4.28,6.24,;-3.88,7.73,;-5.76,5.84,;-6.85,6.93,;-6.16,4.35,;-7.25,5.44,;2.06,-.67,;3.4,-1.44,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398501 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(4-{[1-(3-methoxyp...) Show SMILES COCCCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:16.19,13.12,wD:21.22,(-7.05,-7.79,;-5.51,-7.79,;-4.42,-6.7,;-2.93,-7.1,;-1.84,-6.01,;-.36,-6.41,;.55,-5.16,;2.01,-5.64,;3.35,-4.87,;3.35,-3.33,;2.01,-2.56,;2.01,-1.02,;.68,-.25,;.68,1.29,;2.01,2.06,;2.01,3.6,;.68,4.37,;-.65,3.6,;-.65,2.06,;.68,5.91,;-.65,6.68,;-.65,8.22,;.68,8.99,;-1.99,8.99,;-1.99,10.53,;-3.32,8.22,;-3.32,9.76,;3.35,-.25,;4.68,-1.02,;6.14,-.54,;6.54,.94,;7.05,-1.79,;6.14,-3.04,;4.68,-2.56,;2.01,-7.18,;.55,-7.66,;-.22,-8.99,)| Show InChI InChI=1S/C25H35F3N6O3/c1-16-11-23(32-34(16)9-4-10-36-3)31-20-12-19(13-21-24(20)30-15-33(21)2)37-18-7-5-17(6-8-18)29-14-22(35)25(26,27)28/h11-13,15,17-18,22,29,35H,4-10,14H2,1-3H3,(H,31,32)/t17-,18+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.25	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398502 ((2R)-1,1,1-Trifluoro-3-{[cis-4-({4-[(5-methoxy-1-m...) Show SMILES COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)| Show InChI InChI=1S/C22H29F3N6O3/c1-30-12-27-21-16(28-19-10-20(33-3)31(2)29-19)8-15(9-17(21)30)34-14-6-4-13(5-7-14)26-11-18(32)22(23,24)25/h8-10,12-14,18,26,32H,4-7,11H2,1-3H3,(H,28,29)/t13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398505 ((2R)-3-{[cis-4-({4-[(1,5-Dimethyl-1H-pyrazol-3-yl)...) Show SMILES Cc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)F)cc3n(C)cnc23)nn1C |r,wU:12.15,9.8,wD:17.18,(-2.77,-8.89,;-2.37,-7.4,;-.84,-7.25,;-.52,-5.74,;.82,-4.97,;.82,-3.43,;-.52,-2.66,;-.52,-1.12,;-1.85,-.35,;-1.85,1.19,;-.52,1.96,;-.52,3.5,;-1.85,4.27,;-3.19,3.5,;-3.19,1.96,;-1.85,5.81,;-3.19,6.58,;-3.19,8.12,;-1.85,8.89,;-4.52,8.89,;-4.52,10.43,;-5.85,8.12,;.82,-.35,;2.15,-1.12,;3.61,-.64,;4.01,.84,;4.52,-1.89,;3.61,-3.14,;2.15,-2.66,;-1.85,-4.97,;-3,-5.99,;-4.51,-5.74,)| Show InChI InChI=1S/C22H30F2N6O2/c1-13-8-20(28-30(13)3)27-17-9-16(10-18-21(17)26-12-29(18)2)32-15-6-4-14(5-7-15)25-11-19(31)22(23)24/h8-10,12,14-15,19,22,25,31H,4-7,11H2,1-3H3,(H,27,28)/t14-,15+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.35	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM398503 ((2R)-3-{[(cis-4-({4-[(Ethyl-5-methyl-1H-pyrazol-3-...) Show SMILES CCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:13.16,10.9,wD:18.19,(-5.19,-6.6,;-3.86,-5.83,;-2.33,-5.99,;-1.18,-4.97,;.15,-5.74,;1.49,-4.97,;1.49,-3.43,;.15,-2.66,;.15,-1.12,;-1.18,-.35,;-1.18,1.19,;.15,1.96,;.15,3.5,;-1.18,4.27,;-2.51,3.5,;-2.51,1.96,;-1.18,5.81,;-2.51,6.58,;-2.51,8.12,;-1.18,8.89,;-3.85,8.89,;-3.85,10.43,;-5.18,8.12,;-5.18,9.66,;1.49,-.35,;2.82,-1.12,;4.29,-.64,;4.68,.84,;5.19,-1.89,;4.29,-3.14,;2.82,-2.66,;-.17,-7.25,;-1.7,-7.4,;-2.1,-8.89,)| Show InChI InChI=1S/C23H31F3N6O2/c1-4-32-14(2)9-21(30-32)29-18-10-17(11-19-22(18)28-13-31(19)3)34-16-7-5-15(6-8-16)27-12-20(33)23(24,25)26/h9-11,13,15-16,20,27,33H,4-8,12H2,1-3H3,(H,29,30)/t15-,16+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.43	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398506 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(1-methyl-4-{[1-(p...) Show SMILES Cn1cnc2c(Nc3ccn(n3)-c3ccccn3)cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:24.29,21.22,wD:29.32,(5.56,.1,;5.16,-1.39,;6.07,-2.63,;5.16,-3.88,;3.7,-3.4,;2.36,-4.17,;2.36,-5.71,;1.03,-6.48,;.71,-7.99,;-.82,-8.15,;-1.45,-6.74,;-.3,-5.71,;-2.99,-6.74,;-3.76,-5.4,;-5.3,-5.4,;-6.07,-6.74,;-5.3,-8.07,;-3.76,-8.07,;1.03,-3.4,;1.03,-1.86,;-.3,-1.09,;-.3,.45,;1.03,1.22,;1.03,2.76,;-.3,3.53,;-1.64,2.76,;-1.64,1.22,;-.3,5.07,;-1.64,5.84,;-1.64,7.38,;-.3,8.15,;-2.97,8.15,;-2.97,9.69,;-4.3,7.38,;-4.3,8.92,;2.36,-1.09,;3.7,-1.86,)| Show InChI InChI=1S/C25H28F3N7O2/c1-34-15-31-24-19(32-22-9-11-35(33-22)23-4-2-3-10-29-23)12-18(13-20(24)34)37-17-7-5-16(6-8-17)30-14-21(36)25(26,27)28/h2-4,9-13,15-17,21,30,36H,5-8,14H2,1H3,(H,32,33)/t16-,17+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398504 ((2R)-1,1,1-Trifluoro-3-[(cis-1-methyl-4-{[1-methyl...) Show SMILES Cn1cnc2c(Nc3cc[nH]n3)cc(O[C@H]3CCC(C)(CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:15.15,wD:24.26,(5.26,.52,;4.86,-.97,;5.76,-2.21,;4.86,-3.46,;3.4,-2.98,;2.06,-3.75,;2.06,-5.29,;.73,-6.06,;.4,-7.57,;-1.13,-7.73,;-1.75,-6.32,;-.6,-5.29,;.73,-2.98,;.73,-1.44,;-.61,-.67,;-.61,.87,;-1.94,1.64,;-1.94,3.18,;-.61,3.95,;.16,5.28,;.73,3.18,;.73,1.64,;-1.7,5.55,;-3.19,5.15,;-4.28,6.24,;-3.88,7.73,;-5.76,5.84,;-6.85,6.93,;-6.16,4.35,;-7.25,5.44,;2.06,-.67,;3.4,-1.44,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398506 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(1-methyl-4-{[1-(p...) Show SMILES Cn1cnc2c(Nc3ccn(n3)-c3ccccn3)cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:24.29,21.22,wD:29.32,(5.56,.1,;5.16,-1.39,;6.07,-2.63,;5.16,-3.88,;3.7,-3.4,;2.36,-4.17,;2.36,-5.71,;1.03,-6.48,;.71,-7.99,;-.82,-8.15,;-1.45,-6.74,;-.3,-5.71,;-2.99,-6.74,;-3.76,-5.4,;-5.3,-5.4,;-6.07,-6.74,;-5.3,-8.07,;-3.76,-8.07,;1.03,-3.4,;1.03,-1.86,;-.3,-1.09,;-.3,.45,;1.03,1.22,;1.03,2.76,;-.3,3.53,;-1.64,2.76,;-1.64,1.22,;-.3,5.07,;-1.64,5.84,;-1.64,7.38,;-.3,8.15,;-2.97,8.15,;-2.97,9.69,;-4.3,7.38,;-4.3,8.92,;2.36,-1.09,;3.7,-1.86,)| Show InChI InChI=1S/C25H28F3N7O2/c1-34-15-31-24-19(32-22-9-11-35(33-22)23-4-2-3-10-29-23)12-18(13-20(24)34)37-17-7-5-16(6-8-17)30-14-21(36)25(26,27)28/h2-4,9-13,15-17,21,30,36H,5-8,14H2,1H3,(H,32,33)/t16-,17+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398505 ((2R)-3-{[cis-4-({4-[(1,5-Dimethyl-1H-pyrazol-3-yl)...) Show SMILES Cc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)F)cc3n(C)cnc23)nn1C |r,wU:12.15,9.8,wD:17.18,(-2.77,-8.89,;-2.37,-7.4,;-.84,-7.25,;-.52,-5.74,;.82,-4.97,;.82,-3.43,;-.52,-2.66,;-.52,-1.12,;-1.85,-.35,;-1.85,1.19,;-.52,1.96,;-.52,3.5,;-1.85,4.27,;-3.19,3.5,;-3.19,1.96,;-1.85,5.81,;-3.19,6.58,;-3.19,8.12,;-1.85,8.89,;-4.52,8.89,;-4.52,10.43,;-5.85,8.12,;.82,-.35,;2.15,-1.12,;3.61,-.64,;4.01,.84,;4.52,-1.89,;3.61,-3.14,;2.15,-2.66,;-1.85,-4.97,;-3,-5.99,;-4.51,-5.74,)| Show InChI InChI=1S/C22H30F2N6O2/c1-13-8-20(28-30(13)3)27-17-9-16(10-18-21(17)26-12-29(18)2)32-15-6-4-14(5-7-15)25-11-19(31)22(23)24/h8-10,12,14-15,19,22,25,31H,4-7,11H2,1-3H3,(H,27,28)/t14-,15+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398502 ((2R)-1,1,1-Trifluoro-3-{[cis-4-({4-[(5-methoxy-1-m...) Show SMILES COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)| Show InChI InChI=1S/C22H29F3N6O3/c1-30-12-27-21-16(28-19-10-20(33-3)31(2)29-19)8-15(9-17(21)30)34-14-6-4-13(5-7-14)26-11-18(32)22(23,24)25/h8-10,12-14,18,26,32H,4-7,11H2,1-3H3,(H,28,29)/t13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	768	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398503 ((2R)-3-{[(cis-4-({4-[(Ethyl-5-methyl-1H-pyrazol-3-...) Show SMILES CCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:13.16,10.9,wD:18.19,(-5.19,-6.6,;-3.86,-5.83,;-2.33,-5.99,;-1.18,-4.97,;.15,-5.74,;1.49,-4.97,;1.49,-3.43,;.15,-2.66,;.15,-1.12,;-1.18,-.35,;-1.18,1.19,;.15,1.96,;.15,3.5,;-1.18,4.27,;-2.51,3.5,;-2.51,1.96,;-1.18,5.81,;-2.51,6.58,;-2.51,8.12,;-1.18,8.89,;-3.85,8.89,;-3.85,10.43,;-5.18,8.12,;-5.18,9.66,;1.49,-.35,;2.82,-1.12,;4.29,-.64,;4.68,.84,;5.19,-1.89,;4.29,-3.14,;2.82,-2.66,;-.17,-7.25,;-1.7,-7.4,;-2.1,-8.89,)| Show InChI InChI=1S/C23H31F3N6O2/c1-4-32-14(2)9-21(30-32)29-18-10-17(11-19-22(18)28-13-31(19)3)34-16-7-5-15(6-8-16)27-12-20(33)23(24,25)26/h9-11,13,15-16,20,27,33H,4-8,12H2,1-3H3,(H,29,30)/t15-,16+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	901	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398504 ((2R)-1,1,1-Trifluoro-3-[(cis-1-methyl-4-{[1-methyl...) Show SMILES Cn1cnc2c(Nc3cc[nH]n3)cc(O[C@H]3CCC(C)(CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:15.15,wD:24.26,(5.26,.52,;4.86,-.97,;5.76,-2.21,;4.86,-3.46,;3.4,-2.98,;2.06,-3.75,;2.06,-5.29,;.73,-6.06,;.4,-7.57,;-1.13,-7.73,;-1.75,-6.32,;-.6,-5.29,;.73,-2.98,;.73,-1.44,;-.61,-.67,;-.61,.87,;-1.94,1.64,;-1.94,3.18,;-.61,3.95,;.16,5.28,;.73,3.18,;.73,1.64,;-1.7,5.55,;-3.19,5.15,;-4.28,6.24,;-3.88,7.73,;-5.76,5.84,;-6.85,6.93,;-6.16,4.35,;-7.25,5.44,;2.06,-.67,;3.4,-1.44,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM398501 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(4-{[1-(3-methoxyp...) Show SMILES COCCCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:16.19,13.12,wD:21.22,(-7.05,-7.79,;-5.51,-7.79,;-4.42,-6.7,;-2.93,-7.1,;-1.84,-6.01,;-.36,-6.41,;.55,-5.16,;2.01,-5.64,;3.35,-4.87,;3.35,-3.33,;2.01,-2.56,;2.01,-1.02,;.68,-.25,;.68,1.29,;2.01,2.06,;2.01,3.6,;.68,4.37,;-.65,3.6,;-.65,2.06,;.68,5.91,;-.65,6.68,;-.65,8.22,;.68,8.99,;-1.99,8.99,;-1.99,10.53,;-3.32,8.22,;-3.32,9.76,;3.35,-.25,;4.68,-1.02,;6.14,-.54,;6.54,.94,;7.05,-1.79,;6.14,-3.04,;4.68,-2.56,;2.01,-7.18,;.55,-7.66,;-.22,-8.99,)| Show InChI InChI=1S/C25H35F3N6O3/c1-16-11-23(32-34(16)9-4-10-36-3)31-20-12-19(13-21-24(20)30-15-33(21)2)37-18-7-5-17(6-8-18)29-14-22(35)25(26,27)28/h11-13,15,17-18,22,29,35H,4-10,14H2,1-3H3,(H,31,32)/t17-,18+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398505 ((2R)-3-{[cis-4-({4-[(1,5-Dimethyl-1H-pyrazol-3-yl)...) Show SMILES Cc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)F)cc3n(C)cnc23)nn1C |r,wU:12.15,9.8,wD:17.18,(-2.77,-8.89,;-2.37,-7.4,;-.84,-7.25,;-.52,-5.74,;.82,-4.97,;.82,-3.43,;-.52,-2.66,;-.52,-1.12,;-1.85,-.35,;-1.85,1.19,;-.52,1.96,;-.52,3.5,;-1.85,4.27,;-3.19,3.5,;-3.19,1.96,;-1.85,5.81,;-3.19,6.58,;-3.19,8.12,;-1.85,8.89,;-4.52,8.89,;-4.52,10.43,;-5.85,8.12,;.82,-.35,;2.15,-1.12,;3.61,-.64,;4.01,.84,;4.52,-1.89,;3.61,-3.14,;2.15,-2.66,;-1.85,-4.97,;-3,-5.99,;-4.51,-5.74,)| Show InChI InChI=1S/C22H30F2N6O2/c1-13-8-20(28-30(13)3)27-17-9-16(10-18-21(17)26-12-29(18)2)32-15-6-4-14(5-7-15)25-11-19(31)22(23)24/h8-10,12,14-15,19,22,25,31H,4-7,11H2,1-3H3,(H,27,28)/t14-,15+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398502 ((2R)-1,1,1-Trifluoro-3-{[cis-4-({4-[(5-methoxy-1-m...) Show SMILES COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)| Show InChI InChI=1S/C22H29F3N6O3/c1-30-12-27-21-16(28-19-10-20(33-3)31(2)29-19)8-15(9-17(21)30)34-14-6-4-13(5-7-14)26-11-18(32)22(23,24)25/h8-10,12-14,18,26,32H,4-7,11H2,1-3H3,(H,28,29)/t13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398501 ((2R)-1,1,1-Trifluoro-3-({cis-4-[(4-{[1-(3-methoxyp...) Show SMILES COCCCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:16.19,13.12,wD:21.22,(-7.05,-7.79,;-5.51,-7.79,;-4.42,-6.7,;-2.93,-7.1,;-1.84,-6.01,;-.36,-6.41,;.55,-5.16,;2.01,-5.64,;3.35,-4.87,;3.35,-3.33,;2.01,-2.56,;2.01,-1.02,;.68,-.25,;.68,1.29,;2.01,2.06,;2.01,3.6,;.68,4.37,;-.65,3.6,;-.65,2.06,;.68,5.91,;-.65,6.68,;-.65,8.22,;.68,8.99,;-1.99,8.99,;-1.99,10.53,;-3.32,8.22,;-3.32,9.76,;3.35,-.25,;4.68,-1.02,;6.14,-.54,;6.54,.94,;7.05,-1.79,;6.14,-3.04,;4.68,-2.56,;2.01,-7.18,;.55,-7.66,;-.22,-8.99,)| Show InChI InChI=1S/C25H35F3N6O3/c1-16-11-23(32-34(16)9-4-10-36-3)31-20-12-19(13-21-24(20)30-15-33(21)2)37-18-7-5-17(6-8-18)29-14-22(35)25(26,27)28/h11-13,15,17-18,22,29,35H,4-10,14H2,1-3H3,(H,31,32)/t17-,18+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM398503 ((2R)-3-{[(cis-4-({4-[(Ethyl-5-methyl-1H-pyrazol-3-...) Show SMILES CCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:13.16,10.9,wD:18.19,(-5.19,-6.6,;-3.86,-5.83,;-2.33,-5.99,;-1.18,-4.97,;.15,-5.74,;1.49,-4.97,;1.49,-3.43,;.15,-2.66,;.15,-1.12,;-1.18,-.35,;-1.18,1.19,;.15,1.96,;.15,3.5,;-1.18,4.27,;-2.51,3.5,;-2.51,1.96,;-1.18,5.81,;-2.51,6.58,;-2.51,8.12,;-1.18,8.89,;-3.85,8.89,;-3.85,10.43,;-5.18,8.12,;-5.18,9.66,;1.49,-.35,;2.82,-1.12,;4.29,-.64,;4.68,.84,;5.19,-1.89,;4.29,-3.14,;2.82,-2.66,;-.17,-7.25,;-1.7,-7.4,;-2.1,-8.89,)| Show InChI InChI=1S/C23H31F3N6O2/c1-4-32-14(2)9-21(30-32)29-18-10-17(11-19-22(18)28-13-31(19)3)34-16-7-5-15(6-8-16)27-12-20(33)23(24,25)26/h9-11,13,15-16,20,27,33H,4-8,12H2,1-3H3,(H,29,30)/t15-,16+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50063752 (CHEMBL3397343) Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at TRalpha (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50063752 (CHEMBL3397343) Show SMILES Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(O)=O)cc12 Show InChI InChI=1S/C25H23NO4/c1-17-14-26(23-9-8-21(13-22(17)23)30-16-25(28)29)15-19-7-10-24(27)20(12-19)11-18-5-3-2-4-6-18/h2-10,12-14,27H,11,15-16H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	406	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at TRbeta (unknown origin) expressed in human HuH7 cells after 24 hrs by Gal4 CTF cell-based assay				Bioorg Med Chem Lett 25: 1377-80 (2015) Article DOI: 10.1016/j.bmcl.2015.02.062 BindingDB Entry DOI: 10.7270/Q2PV6N2G
					More data for this Ligand-Target Pair