BDBM50115669 CHEMBL110158::{4-[3-(4-Amino-phenylethynyl)-4-hydroxy-5-isopropyl-benzyl]-3,5-dimethyl-phenoxy}-acetic acid(NH-4)

SMILES: CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O

InChI Key: InChIKey=RGPPXBMUCFRACH-UHFFFAOYSA-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 = 50115669   

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))	BDBM50115669 (CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31)	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	90	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3				J Med Chem 45: 3310-20 (2002) BindingDB Entry DOI: 10.7270/Q20G3JHX
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50115669 (CHEMBL110158 | {4-[3-(4-Amino-phenylethynyl)-4-hyd...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(N)cc2)c1O Show InChI InChI=1S/C28H29NO4/c1-17(2)25-14-21(13-22(28(25)32)8-5-20-6-9-23(29)10-7-20)15-26-18(3)11-24(12-19(26)4)33-16-27(30)31/h6-7,9-14,17,32H,15-16,29H2,1-4H3,(H,30,31)	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	330	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity against human Thyroid hormone receptor alpha1 (hTRalpha1) using radiolabeled T3				J Med Chem 45: 3310-20 (2002) BindingDB Entry DOI: 10.7270/Q20G3JHX
					More data for this Ligand-Target Pair