BDBM50028458 CHEMBL3335648

SMILES: CSc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1

InChI Key: InChIKey=FMFHSNSXBLLOOI-UHFFFAOYSA-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 = 50028458   

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))	BDBM50028458 (CHEMBL3335648) Show SMILES CSc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1 Show InChI InChI=1S/C25H26N2O2S/c1-25(2,3)18-14-12-17(13-15-18)23(28)27-22-11-6-5-10-21(22)24(29)26-19-8-7-9-20(16-19)30-4/h5-16H,1-4H3,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene ...				J Med Chem 57: 8035-55 (2014) Article DOI: 10.1021/jm500937v BindingDB Entry DOI: 10.7270/Q26H4K06
					More data for this Ligand-Target Pair