Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50385220'   

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))	BDBM50385220 (CHEMBL2037190) Show SMILES CCOc1cccc(c1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r| Show InChI InChI=1S/C29H29N3O2S/c1-5-34-24-11-8-10-23(17-24)21-13-15-22(16-14-21)27-26-19(3)31-32(25-12-7-6-9-18(25)2)28(26)30-29(33)20(4)35-27/h6-17,20,27H,5H2,1-4H3,(H,30,33)/t20-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Agonist activity at human GST-tagged FXR ligand binding domain assessed as recruitment of Src-1 peptide after 30 mins by AlphaScreen assay				Bioorg Med Chem 20: 3429-45 (2012) Article DOI: 10.1016/j.bmc.2012.04.021 BindingDB Entry DOI: 10.7270/Q2GX4CMD
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