Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50535380'   

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))	BDBM50535380 (CHEMBL4578551) Show SMILES CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C#N)cc1)-c1c(Cl)cccc1Cl |(8.77,-19.43,;7.24,-19.27,;6.61,-17.87,;6.34,-20.52,;4.8,-20.53,;4.32,-21.99,;5.58,-22.9,;6.82,-21.99,;8.28,-22.45,;9.42,-21.42,;10.89,-21.89,;11.21,-23.39,;12.68,-23.85,;13.82,-22.82,;15.29,-23.28,;16.42,-22.24,;17.89,-22.71,;18.21,-24.21,;19.68,-24.68,;20.82,-23.64,;20.48,-22.13,;19.02,-21.67,;21.62,-21.09,;22.75,-20.04,;13.48,-21.31,;12.02,-20.85,;5.59,-24.44,;6.92,-25.2,;8.25,-24.43,;6.93,-26.75,;5.59,-27.52,;4.26,-26.75,;4.26,-25.21,;2.93,-24.44,)| Show InChI InChI=1S/C27H22Cl2N2O3/c1-17(2)27-22(26(31-34-27)25-23(28)7-4-8-24(25)29)16-33-20-11-9-18(10-12-20)15-32-21-6-3-5-19(13-21)14-30/h3-13,17H,15-16H2,1-2H3	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	5.40E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase rep...				ACS Med Chem Lett 10: 407-412 (2019) Article DOI: 10.1021/acsmedchemlett.8b00423 BindingDB Entry DOI: 10.7270/Q2WM1HXK
					More data for this Ligand-Target Pair