Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene monooxygenase' and Ligand = 'BDBM50250976'   

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)	BDBM50250976 (CHEMBL465724 | n-dihexyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCC |(27.35,7.21,;28.7,6.43,;28.7,4.87,;30.06,4.09,;30.06,2.52,;31.41,1.74,;31.41,.2,;32.74,-.56,;32.74,-2.1,;34.06,.2,;34.07,1.75,;35.4,2.51,;35.4,4.04,;36.73,1.75,;38.05,2.51,;36.73,.21,;38.05,-.56,;35.4,-.55,;35.4,-3.01,;34.08,-3.78,;32.75,-3.02,;34.09,-5.32,;32.77,-6.08,;35.43,-6.08,;35.43,-7.61,;36.74,-5.3,;36.74,-3.77,;38.18,-3.24,;38.23,-1.73,;39.34,-4.23,;39.29,-5.79,;40.61,-6.62,;40.56,-8.18,;41.88,-9.01,;41.83,-10.58,;43.15,-11.4,)| Show InChI InChI=1S/C26H34O10/c1-3-5-7-9-11-35-25(33)15-13-17(27)21(29)23(31)19(15)20-16(14-18(28)22(30)24(20)32)26(34)36-12-10-8-6-4-2/h13-14,27-32H,3-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	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