BDBM50425391 CHEMBL2312277

SMILES: CCc1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O

InChI Key: InChIKey=XSRIPYSSPXVKKY-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 = 50425391   

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))	BDBM50425391 (CHEMBL2312277) Show SMILES CCc1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO5/c1-3-13-10-14(7-8-18(13)23)27-21-12(2)9-17(15-5-4-6-16(15)21)22-19(24)11-20(25)26/h7-10,23H,3-6,11H2,1-2H3,(H,22,24)(H,25,26)	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	54	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))	BDBM50425391 (CHEMBL2312277) Show SMILES CCc1cc(Oc2c3CCCc3c(NC(=O)CC(O)=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO5/c1-3-13-10-14(7-8-18(13)23)27-21-12(2)9-17(15-5-4-6-16(15)21)22-19(24)11-20(25)26/h7-10,23H,3-6,11H2,1-2H3,(H,22,24)(H,25,26)	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	710	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