BDBM50448461 CHEMBL3126370

SMILES: CC(C)c1cc(Cn2ccc3c(NC(=O)C(O)=O)cccc23)ccc1O

InChI Key: InChIKey=AHPLOHJAEWIFEV-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50448461   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	550	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 human HepG2 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 alpha (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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting				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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sanwa Kagaku Kenkyusho Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting				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 UniProtKB/TrEMBL 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