BDBM50385202 CHEMBL2037333

SMILES: CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Br)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=RUOLPVMPSXFLJG-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 = 50385202   

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))	BDBM50385202 (CHEMBL2037333) Show SMILES CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Br)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H22BrN3O2S/c1-16-23-24(18-12-14-20(15-13-18)32-19-8-4-3-5-9-19)33-17(2)26(31)28-25(23)30(29-16)22-11-7-6-10-21(22)27/h3-15,17,24H,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged FXR ligand binding domain assessed as recruitment of Src-1 peptide after 30 mins by AlphaScreen assay				Bioorg Med Chem 20: 3429-45 (2012) Article DOI: 10.1016/j.bmc.2012.04.021 BindingDB Entry DOI: 10.7270/Q2GX4CMD
					More data for this Ligand-Target Pair