Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50043928   

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))	BDBM50448464 (CHEMBL3126376) Show SMILES CC(C)c1cc(Cn2c(C)c(CCCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C24H29NO3/c1-16(2)21-14-18(12-13-23(21)26)15-25-17(3)19(8-5-7-11-24(27)28)20-9-4-6-10-22(20)25/h4,6,9-10,12-14,16,26H,5,7-8,11,15H2,1-3H3,(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	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448465 (CHEMBL3126375) Show SMILES CC(C)c1cc(Cn2c(C)c(CCCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C23H27NO3/c1-15(2)20-13-17(11-12-22(20)25)14-24-16(3)18(8-6-10-23(26)27)19-7-4-5-9-21(19)24/h4-5,7,9,11-13,15,25H,6,8,10,14H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448466 (CHEMBL3126374) Show SMILES CC(C)c1cc(Cn2c(C)c(CCC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C22H25NO3/c1-14(2)19-12-16(8-10-21(19)24)13-23-15(3)17(9-11-22(25)26)18-6-4-5-7-20(18)23/h4-8,10,12,14,24H,9,11,13H2,1-3H3,(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	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448467 (CHEMBL3126373) Show SMILES CC(C)c1cc(Cn2c(C)c(CC(O)=O)c3ccccc23)ccc1O Show InChI InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(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	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (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 |r| 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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448460 (CHEMBL3126371) Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)CC(O)=O)cccc23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)16-10-15(7-8-20(16)25)12-24-14(3)9-17-18(5-4-6-19(17)24)23-21(26)11-22(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448461 (CHEMBL3126370) Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-12(2)15-10-13(6-7-18(15)23)11-22-9-8-14-16(4-3-5-17(14)22)21-19(24)20(25)26/h3-10,12,23H,11H2,1-2H3,(H,21,24)(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	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448462 (CHEMBL3126369) Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448463 (CHEMBL3126367) Show SMILES CC(C)c1cc(Cn2c(C)cc3c(NC(=O)C(O)=O)cccc23)ccc1O Show InChI InChI=1S/C21H22N2O4/c1-12(2)15-10-14(7-8-19(15)24)11-23-13(3)9-16-17(5-4-6-18(16)23)22-20(25)21(26)27/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50448459 (CHEMBL3126372) Show SMILES CC(C)c1cc(Cn2ccc3c(NC(=O)CC(O)=O)ccc(C)c23)ccc1O Show InChI InChI=1S/C22H24N2O4/c1-13(2)17-10-15(5-7-19(17)25)12-24-9-8-16-18(6-4-14(3)22(16)24)23-20(26)11-21(27)28/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay				Bioorg Med Chem 22: 488-98 (2013) Article DOI: 10.1016/j.bmc.2013.11.001 BindingDB Entry DOI: 10.7270/Q2H41SXN
					More data for this Ligand-Target Pair