Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50535425'   

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))	BDBM50535425 (CHEMBL4562404) Show SMILES OCCCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H21N3O2/c23-12-4-11-22-10-3-7-17(22)19-20-18(21-24-19)16-9-8-14-5-1-2-6-15(14)13-16/h1-2,5-6,8-9,13,17,23H,3-4,7,10-12H2/t17-/m0/s1	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	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter as...				ACS Med Chem Lett 10: 504-510 (2019) Article DOI: 10.1021/acsmedchemlett.8b00534 BindingDB Entry DOI: 10.7270/Q2445R07
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