Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50236553'   

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))	BDBM50236553 (CHEMBL4104940) Show SMILES COc1cccc(\C=C\C(=O)c2cc(O)ccc2O)c1 Show InChI InChI=1S/C16H14O4/c1-20-13-4-2-3-11(9-13)5-7-15(18)14-10-12(17)6-8-16(14)19/h2-10,17,19H,1H3/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused human FXR LBD expressed in HEK293T cells assessed as inhibition of CDCA-induced receptor activation after 24 hr...				Eur J Med Chem 129: 303-309 (2017) Article DOI: 10.1016/j.ejmech.2017.02.037 BindingDB Entry DOI: 10.7270/Q2P271DZ
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