BDBM50304778 3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy)-5-methylphenylamino)-3-oxopropanoic acid::CHEMBL594047

SMILES: Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1

InChI Key: InChIKey=HCQUAEYYTNDJIM-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 = 50304778   

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))	BDBM50304778 (3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...) Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Binding affinity to thyroid receptor beta				Bioorg Med Chem Lett 20: 306-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.109 BindingDB Entry DOI: 10.7270/Q2J38SNP
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50304778 (3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...) Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Binding affinity to thyroid receptor alpha				Bioorg Med Chem Lett 20: 306-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.109 BindingDB Entry DOI: 10.7270/Q2J38SNP
					More data for this Ligand-Target Pair