Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50500150'   

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))	BDBM50500150 (CHEMBL3746821) Show SMILES Cc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)-n2cc3ccc(cc3n2)C(O)=O)cc1 Show InChI InChI=1S/C27H26N4O3/c1-18-5-9-21(10-6-18)28-26(32)23-16-22(11-12-25(23)30-13-3-2-4-14-30)31-17-20-8-7-19(27(33)34)15-24(20)29-31/h5-12,15-17H,2-4,13-14H2,1H3,(H,28,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Agonist activity at FXR (unknown origin)				Eur J Med Chem 103: 191-209 (2015) Article DOI: 10.1016/j.ejmech.2015.08.058 BindingDB Entry DOI: 10.7270/Q2W95D6B
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