BDBM50105668 CHEMBL264527::{4-[11-(Butyl-methyl-carbamoyl)-1-(4-hydroxy-3-isopropyl-phenyl)-undec-4-enyl]-3,5-dimethyl-phenoxy}-acetic acid

SMILES: CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C

InChI Key: InChIKey=HGCHTOCFDDIWOI-QBFSEMIESA-N

Data: 2 Kd

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 = 50105668   

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))	BDBM50105668 (CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...) Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)				Bioorg Med Chem Lett 11: 2821-5 (2001) BindingDB Entry DOI: 10.7270/Q21Z43QR
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50105668 (CHEMBL264527 | {4-[11-(Butyl-methyl-carbamoyl)-1-(...) Show SMILES CCCCN(C)C(=O)CCCCCC\C=C/CCC(c1ccc(O)c(c1)C(C)C)c1c(C)cc(OCC(O)=O)cc1C Show InChI InChI=1S/C36H53NO5/c1-7-8-21-37(6)34(39)18-16-14-12-10-9-11-13-15-17-31(29-19-20-33(38)32(24-29)26(2)3)36-27(4)22-30(23-28(36)5)42-25-35(40)41/h11,13,19-20,22-24,26,31,38H,7-10,12,14-18,21,25H2,1-6H3,(H,40,41)/b13-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)				Bioorg Med Chem Lett 11: 2821-5 (2001) BindingDB Entry DOI: 10.7270/Q21Z43QR
					More data for this Ligand-Target Pair