Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225962'   

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))	BDBM225962 (FXR_52) Show SMILES Fc1ccc2nc(COc3ccc(Cl)cc3Cl)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2c1 Show InChI InChI=1S/C28H32Cl2FN3O2/c29-19-11-14-25(22(30)15-19)36-17-26-33-23-13-12-20(31)16-24(23)34(26)27(18-7-3-1-4-8-18)28(35)32-21-9-5-2-6-10-21/h11-16,18,21,27H,1-10,17H2,(H,32,35)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	340	n/a	n/a	n/a	n/a	7.4	n/a
D3R					Assay Description The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...				D3R 882: (2017) BindingDB Entry DOI: 10.7270/Q2MC8XWV
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