BDBM50287728 3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-phenyl}-2-methylsulfanyl-propionic acid methyl ester::CHEMBL307544

SMILES: COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC

InChI Key: InChIKey=UZEDZLOOTHTXNN-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50287728   

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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50287728 (3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...) Show SMILES COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC Show InChI InChI=1S/C21H24N2O4S/c1-23(21-22-17-6-4-5-7-18(17)27-21)12-13-26-16-10-8-15(9-11-16)14-19(28-3)20(24)25-2/h4-11,19H,12-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor				Bioorg Med Chem Lett 6: 2121-2126 (1996) Article DOI: 10.1016/0960-894X(96)00383-6 BindingDB Entry DOI: 10.7270/Q2NS0TW1
					More data for this Ligand-Target Pair