Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50385207'   

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))	BDBM50385207 (CHEMBL2037328) Show SMILES CCCc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H29N3O2S/c1-4-10-21-11-8-9-14-25(21)32-28-26(19(2)31-32)27(35-20(3)29(33)30-28)22-15-17-24(18-16-22)34-23-12-6-5-7-13-23/h5-9,11-18,20,27H,4,10H2,1-3H3,(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	1.10E+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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