BDBM50501969 CHEMBL4440692

SMILES: COc1cc(\C=C(/C#N)C(=O)NCCOCCC(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=OUWPLANKBAZARJ-LICLKQGHSA-N

Data: 1 IC50

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 = 50501969   

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
von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM50501969 (CHEMBL4440692) Show SMILES COc1cc(\C=C(/C#N)C(=O)NCCOCCC(O)=O)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H22F6N2O6/c1-37-21-11-15(10-17(13-32)23(36)33-7-9-38-8-6-22(34)35)2-5-20(21)39-14-16-3-4-18(24(26,27)28)12-19(16)25(29,30)31/h2-5,10-12H,6-9,14H2,1H3,(H,33,36)(H,34,35)/b17-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged ERRalpha-LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				ACS Med Chem Lett 10: 767-772 (2019) Article DOI: 10.1021/acsmedchemlett.9b00025
					More data for this Ligand-Target Pair