BDBM50250981 CHEMBL517784::n-dioctyl 2,2',3,3',4,4'-hexahydroxybiphenyl-6,6'-dicarboxylate

SMILES: CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCC

InChI Key: InChIKey=PMBQYBNYQFOYGO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250981   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene monooxygenase (Rattus norvegicus)	BDBM50250981 (CHEMBL517784 | n-dioctyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCC |(-12.43,-8.99,;-11.07,-9.77,;-11.07,-11.33,;-9.72,-12.11,;-9.72,-13.66,;-8.38,-14.44,;-8.38,-16,;-7.03,-16.78,;-7.03,-18.31,;-5.71,-19.07,;-5.71,-20.6,;-4.39,-18.31,;-4.39,-16.77,;-3.06,-16.01,;-3.06,-14.48,;-1.73,-16.77,;-.42,-16.01,;-1.73,-18.3,;-.42,-19.06,;-3.06,-19.06,;-3.06,-21.5,;-4.38,-22.28,;-5.69,-21.51,;-4.37,-23.81,;-5.68,-24.57,;-3.03,-24.56,;-3.03,-26.08,;-1.72,-23.79,;-1.72,-22.26,;-.29,-21.74,;-.24,-20.23,;.87,-22.72,;.81,-24.28,;2.13,-25.1,;2.08,-26.66,;3.4,-27.48,;3.34,-29.04,;4.66,-29.86,;4.61,-31.42,;5.93,-32.25,)| Show InChI InChI=1S/C30H42O10/c1-3-5-7-9-11-13-15-39-29(37)19-17-21(31)25(33)27(35)23(19)24-20(18-22(32)26(34)28(24)36)30(38)40-16-14-12-10-8-6-4-2/h17-18,31-36H,3-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	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