Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50385213'   

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))	BDBM50385213 (CHEMBL2037314) Show SMILES COc1ccccc1Oc1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r| Show InChI InChI=1S/C28H27N3O3S/c1-17-9-5-6-10-22(17)31-27-25(18(2)30-31)26(35-19(3)28(32)29-27)20-13-15-21(16-14-20)34-24-12-8-7-11-23(24)33-4/h5-16,19,26H,1-4H3,(H,29,32)/t19-,26+/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	1.70E+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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