BDBM50425388 CHEMBL2312280

SMILES: Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCC2CCCCC2)c1

InChI Key: InChIKey=JKQNTBZKAUPEAD-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50425388   

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))	BDBM50425388 (CHEMBL2312280) Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCC2CCCCC2)c1 Show InChI InChI=1S/C27H33NO5/c1-17-14-23(28-25(30)16-26(31)32)21-8-5-9-22(21)27(17)33-20-12-13-24(29)19(15-20)11-10-18-6-3-2-4-7-18/h12-15,18,29H,2-11,16H2,1H3,(H,28,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting				Bioorg Med Chem 21: 592-607 (2013) Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50425388 (CHEMBL2312280) Show SMILES Cc1cc(NC(=O)CC(O)=O)c2CCCc2c1Oc1ccc(O)c(CCC2CCCCC2)c1 Show InChI InChI=1S/C27H33NO5/c1-17-14-23(28-25(30)16-26(31)32)21-8-5-9-22(21)27(17)33-20-12-13-24(29)19(15-20)11-10-18-6-3-2-4-7-18/h12-15,18,29H,2-11,16H2,1H3,(H,28,30)(H,31,32)	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	429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting				Bioorg Med Chem 21: 592-607 (2013) Article DOI: 10.1016/j.bmc.2012.12.002 BindingDB Entry DOI: 10.7270/Q2JS9RRW
					More data for this Ligand-Target Pair