Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50258156'   

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))	BDBM50258156 (CHEMBL4077285) Show SMILES Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H17Cl2N3/c1-14-7-10-19-25-20(16-8-9-17(22)18(23)11-16)21(26(19)13-14)24-12-15-5-3-2-4-6-15/h2-11,13,24H,12H2,1H3	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	24	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany. Curated by ChEMBL					Assay Description Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay				J Med Chem 60: 7199-7205 (2017) Article DOI: 10.1021/acs.jmedchem.7b00903 BindingDB Entry DOI: 10.7270/Q2736TBH
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