BDBM50115666 CHEMBL109430::{4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethynyl)-benzyl]-3,5-dimethyl-phenoxy}-acetic acid(NH-2)

SMILES CCCCCc1ccc(cc1)C#Cc1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C(C)C)c1O

InChI Key InChIKey=AYKYCMVGVMAFJO-UHFFFAOYSA-N

Data  2 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50115666   

TargetThyroid hormone receptor alpha(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50115666({4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethyny...)
Affinity DataKd:  5.20nMAssay Description:Binding affinity against human Thyroid hormone receptor alpha-1 (hTRalpha1) using radiolabeled T3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50115666({4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethyny...)
Affinity DataKd:  0.520nMAssay Description:Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThyroid hormone receptor beta(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50115666({4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethyny...)
Affinity DataEC50:  380nMAssay Description:Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed