Table 1.

IC₅₀ Concentration (nM) and Interaction Energy (kJ/mol) for the Inhibition of 3,3′-T2S Formation by OH-BDEs from the Incubation of 1 μM 3,3′-T2 with Human Liver Cytosol.

Compound Name	Structure	IC50 (nM) (95% CI)	Interaction Energy (kJ/mol)	Human Serum (pmol/g lipid)
2′-OH BDE 3	2′-OH 4-monoBDE	500 (320–800)	−30.3
3′-OH BDE 7	3′-OH 2,4-diBDE	410 (220–780)	−36.7
3′-OH BDE 28	3′-OH 2,4,4′-triBDE	190 (140–250)	−40.3
3-OH BDE 47	3-OH 2,2′,4,4′-tetraBDE	60 (40–90)	−37.4	0.2a, <LOQ-0.32b
5-OH BDE 47	5-OH 2,2′,4,4′-tetraBDE	400 (240–640)	−35.6	3.1a
6-OH BDE 47	6-OH 2,2′,4,4′-tetraBDE	130 (70–230)	−34.0	0.6a, 1.4–2.4b, 0.3c
4′-OH BDE 49	4′-OH 2,2′,4,5′-tetraBDE	650 (170–2350)	−43.3	0.6a, 0.28–0.96b, 0.2c
4-OH BDE 90	4-OH 2,2′,3,4′,5-pentaBDE	24 (16–38)	−43.6	<LOQ-0.70b
5′-OH BDE 99	5′-OH 2,2′,4,4′,5-pentaBDE	520 (180–1500)	−34.6	3.4a
6′-OH BDE 99	6′-OH 2,2′,4,4′,5-pentaBDE	310 (150–610)	−36.4	0.5a
4′-OH BDE 101	4′-OH 2,2′,4,5, 5′-pentaBDE	640 (280–1450)	−45.1
3′-OH BDE 154	3-OH 2,2′,4,4′,5,6′-hexaBDE	80 (50–140)	−38.2
6-OH BDE 180	6-OH 2,2′,3,4,4′,5,5′-heptaBDE	13500	−40.9
4′-OH BDE 201	4′-OH 2,2′,3,3′,4,5′,6,6′-octaBDE	510 (220–1130)	−46.7

^aMean, data from reference⁴⁶

^bRange, data from reference ⁴⁹, reference group only

^cGeometric mean, data from reference ⁹