Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene monooxygenase' and Ligand = 'BDBM50250983'   

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
Squalene monooxygenase (Rattus norvegicus)	BDBM50250983 (CHEMBL450739 | n-didodecyl 2,2',3,3',4,4'-hexahydr...) Show SMILES CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCCCCCC |(15.04,-6.15,;16.37,-6.92,;16.37,-8.46,;17.71,-9.23,;17.71,-10.77,;19.04,-11.54,;19.04,-13.08,;20.38,-13.85,;20.38,-15.39,;21.71,-16.16,;21.71,-17.7,;23.04,-18.47,;23.04,-19.99,;24.35,-20.74,;24.35,-22.25,;25.65,-19.98,;25.66,-18.46,;26.97,-17.71,;26.97,-16.2,;28.28,-18.46,;29.59,-17.71,;28.28,-19.98,;29.59,-20.73,;26.97,-20.73,;26.97,-23.15,;25.67,-23.91,;24.37,-23.16,;25.68,-25.42,;24.38,-26.18,;27,-26.17,;27,-27.68,;28.3,-25.41,;28.3,-23.9,;29.71,-23.38,;29.77,-21.89,;30.86,-24.35,;30.8,-25.89,;32.11,-26.71,;32.06,-28.25,;33.36,-29.06,;33.31,-30.6,;34.61,-31.42,;34.56,-32.96,;35.86,-33.78,;35.81,-35.32,;37.11,-36.13,;37.06,-37.67,;38.37,-38.49,)| Show InChI InChI=1S/C38H58O10/c1-3-5-7-9-11-13-15-17-19-21-23-47-37(45)27-25-29(39)33(41)35(43)31(27)32-28(26-30(40)34(42)36(32)44)38(46)48-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,39-44H,3-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair