BDBM50118023 CHEMBL3613414

SMILES: CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(cc2Cl)[N+]([O-])=O)ccc1O

InChI Key: InChIKey=SSEAWJZDUNEHNN-UHFFFAOYSA-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 = 50118023   

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))	BDBM50118023 (CHEMBL3613414) Show SMILES CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(cc2Cl)[N+]([O-])=O)ccc1O Show InChI InChI=1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay				Bioorg Med Chem 23: 6427-36 (2015) BindingDB Entry DOI: 10.7270/Q2GT5Q0T
					More data for this Ligand-Target Pair