BDBM50028456 CHEMBL3335646

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C#N

InChI Key: InChIKey=LKUZQEKSMQEKAF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50028456   

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))	BDBM50028456 (CHEMBL3335646) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C25H23N3O2/c1-25(2,3)19-13-11-18(12-14-19)23(29)28-22-10-5-4-9-21(22)24(30)27-20-8-6-7-17(15-20)16-26/h4-15H,1-3H3,(H,27,30)(H,28,29)	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	230	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Transactivation of human FXR expressed in human HeLa cells incubated for 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 23: 499-514 (2015) Article DOI: 10.1016/j.bmc.2014.12.013 BindingDB Entry DOI: 10.7270/Q2MW2JW6
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50028456 (CHEMBL3335646) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C25H23N3O2/c1-25(2,3)19-13-11-18(12-14-19)23(29)28-22-10-5-4-9-21(22)24(30)27-20-8-6-7-17(15-20)16-26/h4-15H,1-3H3,(H,27,30)(H,28,29)	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	230	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