BDBM50094268 CHEMBL3589969

SMILES: COc1ccc(cc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=LAOLXXZETVAKFQ-JNRDBWBESA-N

Data: 1 EC50

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 = 50094268   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50094268 (CHEMBL3589969) Show SMILES COc1ccc(cc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H22O3/c1-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21-2/h4,6,8,10,12,15,17,19H,3,13-14,16H2,1-2H3/b6-4+,10-8+,15-12+/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene...				Bioorg Med Chem 23: 3490-8 (2015) Article DOI: 10.1016/j.bmc.2015.04.035 BindingDB Entry DOI: 10.7270/Q27M09PP
					More data for this Ligand-Target Pair