Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50028453'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50028453 (CHEMBL3335628) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H14F4N2O4/c23-17-11-12(8-9-16(17)22(24,25)26)19(29)28-18-7-2-1-6-15(18)20(30)27-14-5-3-4-13(10-14)21(31)32/h1-11H,(H,27,30)(H,28,29)(H,31,32)	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	5.00E+3	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))	BDBM50028453 (CHEMBL3335628) Show SMILES OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H14F4N2O4/c23-17-11-12(8-9-16(17)22(24,25)26)19(29)28-18-7-2-1-6-15(18)20(30)27-14-5-3-4-13(10-14)21(31)32/h1-11H,(H,27,30)(H,28,29)(H,31,32)	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	5.00E+3	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