Compile Data Set for Download or QSAR

Found 680 hits Enz. Inhib. hit(s) with Target = 'Thyroid Hormone Receptor (TR-alpha)'   

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 (Homo sapiens (human))	BDBM18899 (2-(3,5-dibromo-4-butoxyphenyl)acetic acid | 3,5-Di...) Show SMILES CCCCOc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C12H14Br2O3/c1-2-3-4-17-12-9(13)5-8(6-10(12)14)7-11(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18900 (2-[3,5-dibromo-4-(pentyloxy)phenyl]acetic acid | 3...) Show SMILES CCCCCOc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C13H16Br2O3/c1-2-3-4-5-18-13-10(14)6-9(7-11(13)15)8-12(16)17/h6-7H,2-5,8H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18901 (2-[3,5-dibromo-4-(3-methylbutoxy)phenyl]acetic aci...) Show SMILES CC(C)CCOc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C13H16Br2O3/c1-8(2)3-4-18-13-10(14)5-9(6-11(13)15)7-12(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18902 (2-[3,5-dibromo-4-(hexyloxy)phenyl]acetic acid | 3,...) Show SMILES CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C14H18Br2O3/c1-2-3-4-5-6-19-14-11(15)7-10(8-12(14)16)9-13(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	0.700	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18903 (2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid...) Show SMILES CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br Show InChI InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	0.820	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18904 (2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic ...) Show SMILES OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1 Show InChI InChI=1S/C15H18Br2O3/c16-12-6-11(8-14(18)19)7-13(17)15(12)20-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	0.420	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18905 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9h | 3-[3...) Show SMILES CC(C)CCOc1c(Br)cc(CCC(O)=O)cc1Br Show InChI InChI=1S/C14H18Br2O3/c1-9(2)5-6-19-14-11(15)7-10(8-12(14)16)3-4-13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18906 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9i | 3-[3...) Show SMILES CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br Show InChI InChI=1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	0.600	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18907 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9j | 3-[3...) Show SMILES CCC(CC)COc1c(Br)cc(CCC(O)=O)cc1Br Show InChI InChI=1S/C15H20Br2O3/c1-3-10(4-2)9-20-15-12(16)7-11(8-13(15)17)5-6-14(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18887 (3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...) Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1 Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	0.530	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...				J Med Chem 48: 3114-7 (2005) Article DOI: 10.1021/jm050004k BindingDB Entry DOI: 10.7270/Q2M906XW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18908 (3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-[(3,5-d...) Show SMILES N[N+](=C([NH-])c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 Show InChI InChI=1S/C19H11Cl5N4O5S/c20-10-3-9(4-11(21)5-10)19(25)27(26)34(31,32)13-7-15(23)18(16(24)8-13)33-17-2-1-12(28(29)30)6-14(17)22/h1-8,25H,26H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18909 (3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-(pyridi...) Show SMILES N[N+](=C([NH-])c1ccccn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 Show InChI InChI=1S/C18H12Cl3N5O5S/c19-12-7-10(26(27)28)4-5-16(12)31-17-13(20)8-11(9-14(17)21)32(29,30)25(23)18(22)15-3-1-2-6-24-15/h1-9,22H,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18910 (3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-(2-chlo...) Show SMILES N[N+](=C([NH-])CCl)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 Show InChI InChI=1S/C14H10Cl4N4O5S/c15-6-13(19)21(20)28(25,26)8-4-10(17)14(11(18)5-8)27-12-2-1-7(22(23)24)3-9(12)16/h1-5,19H,6,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18911 (3-nitro-N-[4-({4-[(3-nitrobenzene)amido]phenyl}met...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C27H20N4O6/c32-26(20-3-1-5-24(16-20)30(34)35)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-27(33)21-4-2-6-25(17-21)31(36)37/h1-14,16-17H,15H2,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18912 (4-[(5-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl...) Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H19Cl2N3O2S/c1-27-15(12-20-16-5-3-4-6-17(16)23(30)28(2)26-20)8-10-22(27)31-13-21(29)18-9-7-14(24)11-19(18)25/h3-11H,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 41: 2503-12 (1998) Article DOI: 10.1021/jm9708691 BindingDB Entry DOI: 10.7270/Q2GM85KW
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor (Homo sapiens (human))	BDBM18869 (2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor (Homo sapiens (human))	BDBM18913 (2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...) Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18914 (2-[4-(3-bromo-4-propanamidophenoxy)-3,5-dichloroph...) Show SMILES CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C17H14BrCl2NO4/c1-2-15(22)21-14-4-3-10(8-11(14)18)25-17-12(19)5-9(6-13(17)20)7-16(23)24/h3-6,8H,2,7H2,1H3,(H,21,22)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18915 (2-{4-[3-bromo-4-(2-methylpropanamido)phenoxy]-3,5-...) Show SMILES CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C18H16BrCl2NO4/c1-9(2)18(25)22-15-4-3-11(8-12(15)19)26-17-13(20)5-10(6-14(17)21)7-16(23)24/h3-6,8-9H,7H2,1-2H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18916 (2-{4-[3-bromo-4-(2-methylbutanamido)phenoxy]-3,5-d...) Show SMILES CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C19H18BrCl2NO4/c1-3-10(2)19(26)23-16-5-4-12(9-13(16)20)27-18-14(21)6-11(7-15(18)22)8-17(24)25/h4-7,9-10H,3,8H2,1-2H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18917 (2-{4-[3-bromo-4-(2-methylpentanamido)phenoxy]-3,5-...) Show SMILES CCCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-4-11(2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-12(8-16(19)23)9-18(25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18918 (2-{4-[3-bromo-4-(2-ethylbutanamido)phenoxy]-3,5-di...) Show SMILES CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C20H20BrCl2NO4/c1-3-12(4-2)20(27)24-17-6-5-13(10-14(17)21)28-19-15(22)7-11(8-16(19)23)9-18(25)26/h5-8,10,12H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18919 (2-{4-[3-bromo-4-(2-propylpentanamido)phenoxy]-3,5-...) Show SMILES CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br Show InChI InChI=1S/C22H24BrCl2NO4/c1-3-5-14(6-4-2)22(29)26-19-8-7-15(12-16(19)23)30-21-17(24)9-13(10-18(21)25)11-20(27)28/h7-10,12,14H,3-6,11H2,1-2H3,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 16: 884-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.002 BindingDB Entry DOI: 10.7270/Q2BV7DWM
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor (Homo sapiens (human))	BDBM18869 (2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor (Homo sapiens (human))	BDBM18867 (2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O Show InChI InChI=1S/C17H16Br2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18920 (2-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)pheny...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H14Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18921 (2-(3,5-dichloro-4-{4-hydroxy-3-[2-(trifluoromethyl...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-7-11(9-19(28)29)8-17(23)20(16)30-12-5-6-18(27)14(10-12)13-3-1-2-4-15(13)21(24,25)26/h1-8,10,27H,9H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18922 (2-(3,5-dichloro-4-{4-hydroxy-3-[3-(trifluoromethyl...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-6-11(8-19(28)29)7-17(23)20(16)30-14-4-5-18(27)15(10-14)12-2-1-3-13(9-12)21(24,25)26/h1-7,9-10,27H,8H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18923 (2-(3,5-dichloro-4-{4-hydroxy-3-[4-(trifluoromethyl...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C21H13Cl2F3O4/c22-16-7-11(9-19(28)29)8-17(23)20(16)30-14-5-6-18(27)15(10-14)12-1-3-13(4-2-12)21(24,25)26/h1-8,10,27H,9H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	515	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18913 (2-{3,5-dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphen...) Show SMILES CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C22H18Cl2O4/c1-2-13-4-3-5-15(8-13)17-12-16(6-7-20(17)25)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h3-10,12,25H,2,11H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18924 (2-(3,5-dichloro-4-{4-hydroxy-3-[3-(propan-2-yl)phe...) Show SMILES CC(C)c1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C23H20Cl2O4/c1-13(2)15-4-3-5-16(11-15)18-12-17(6-7-21(18)26)29-23-19(24)8-14(9-20(23)25)10-22(27)28/h3-9,11-13,26H,10H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18925 (2-{3,5-dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phe...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C26H18Cl2O4/c27-22-11-16(13-25(30)31)12-23(28)26(22)32-20-9-10-24(29)21(15-20)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15,29H,13H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	454	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18926 (2-{3,5-dichloro-4-[4-hydroxy-3-(3-methoxyphenyl)ph...) Show SMILES COc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C21H16Cl2O5/c1-27-14-4-2-3-13(10-14)16-11-15(5-6-19(16)24)28-21-17(22)7-12(8-18(21)23)9-20(25)26/h2-8,10-11,24H,9H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18927 (2-(3,5-dichloro-4-{3-[3-(difluoromethoxy)phenyl]-4...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)F)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl2F2O5/c22-16-6-11(8-19(27)28)7-17(23)20(16)29-14-4-5-18(26)15(10-14)12-2-1-3-13(9-12)30-21(24)25/h1-7,9-10,21,26H,8H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18928 (2-(3,5-dichloro-4-{4-hydroxy-3-[3-(trifluoromethox...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)(F)F)c2)c(Cl)c1 Show InChI InChI=1S/C21H13Cl2F3O5/c22-16-6-11(8-19(28)29)7-17(23)20(16)30-13-4-5-18(27)15(10-13)12-2-1-3-14(9-12)31-21(24,25)26/h1-7,9-10,27H,8H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18929 (2-{3,5-dichloro-4-[4-hydroxy-3-(2-hydroxyphenyl)ph...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2O)c(Cl)c1 Show InChI InChI=1S/C20H14Cl2O5/c21-15-7-11(9-19(25)26)8-16(22)20(15)27-12-5-6-18(24)14(10-12)13-3-1-2-4-17(13)23/h1-8,10,23-24H,9H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18930 (2-{3,5-dichloro-4-[4-hydroxy-3-(3-hydroxyphenyl)ph...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(O)c2)c(Cl)c1 Show InChI InChI=1S/C20H14Cl2O5/c21-16-6-11(8-19(25)26)7-17(22)20(16)27-14-4-5-18(24)15(10-14)12-2-1-3-13(23)9-12/h1-7,9-10,23-24H,8H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18931 (2-{3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)ph...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(O)cc2)c(Cl)c1 Show InChI InChI=1S/C20H14Cl2O5/c21-16-7-11(9-19(25)26)8-17(22)20(16)27-14-5-6-18(24)15(10-14)12-1-3-13(23)4-2-12/h1-8,10,23-24H,9H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	847	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18932 (2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-2-yl)pheno...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H13Cl2NO4/c20-14-7-11(9-18(24)25)8-15(21)19(14)26-12-4-5-17(23)13(10-12)16-3-1-2-6-22-16/h1-8,10,23H,9H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18933 (2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-3-yl)pheno...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccnc2)c(Cl)c1 Show InChI InChI=1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	819	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18934 (2-{3,5-dichloro-4-[4-hydroxy-3-(pyridin-4-yl)pheno...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C19H13Cl2NO4/c20-15-7-11(9-18(24)25)8-16(21)19(15)26-13-1-2-17(23)14(10-13)12-3-5-22-6-4-12/h1-8,10,23H,9H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18935 (2-{3,5-dichloro-4-[4-hydroxy-3-(pyrimidin-5-yl)phe...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cncnc2)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2N2O4/c19-14-3-10(5-17(24)25)4-15(20)18(14)26-12-1-2-16(23)13(6-12)11-7-21-9-22-8-11/h1-4,6-9,23H,5H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18937 (2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18883 (3,5-dibromo-4-[4-hydroxy-3,5-bis(propan-2-yl)pheno...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O Show InChI InChI=1S/C19H20Br2O4/c1-9(2)13-7-12(8-14(10(3)4)17(13)22)25-18-15(20)5-11(19(23)24)6-16(18)21/h5-10,22H,1-4H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 49: 6635-7 (2006) Article DOI: 10.1021/jm060521i BindingDB Entry DOI: 10.7270/Q23B5XDF
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18884 (2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 49: 6635-7 (2006) Article DOI: 10.1021/jm060521i BindingDB Entry DOI: 10.7270/Q23B5XDF
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18885 (2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				J Med Chem 49: 6635-7 (2006) Article DOI: 10.1021/jm060521i BindingDB Entry DOI: 10.7270/Q23B5XDF
					More data for this Ligand-Target Pair
Thyroid hormone receptor (Homo sapiens (human))	BDBM18886 (3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)-5-[(E)...) Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)cc(\C=C\c2ccncc2)c1O Show InChI InChI=1S/C25H23Br2NO4/c1-15(2)20-14-19(13-18(24(20)31)5-3-16-7-9-28-10-8-16)32-25-21(26)11-17(12-22(25)27)4-6-23(29)30/h3,5,7-15,31H,4,6H2,1-2H3,(H,29,30)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	32	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				J Med Chem 49: 6635-7 (2006) Article DOI: 10.1021/jm060521i BindingDB Entry DOI: 10.7270/Q23B5XDF
					More data for this Ligand-Target Pair

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