Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225998'   

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))	BDBM225998 (FXR_91) Show SMILES O=C(Nc1ccccc1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C23H20N4O3S2/c28-23(24-17-8-3-1-4-9-17)22-19-16-26(32(29,30)21-12-7-15-31-21)14-13-20(19)25-27(22)18-10-5-2-6-11-18/h1-12,15H,13-14,16H2,(H,24,28)	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	2.96E+4	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
					More data for this Ligand-Target Pair