Table 2.

Validation of hit compounds.

sEH

LTA4H

5‐LOX

RXRα

FXR

Cmpd	IC50 [μM]	LE [kcal/mol]	K d [μM]	scaffold found in bioactives	IC50 [μM]	LE [kcal/mol]	K d [μM]	found in bioactives	IC50 [μM]	LE [kcal/mol]	found in bioactives	K d [μM]	LE [kcal/mol]	found in bioactives	K d [μM]	LE [kcal/mol]	found in bioactives
1	–	–	–	x	–	–	–		n.d.	–	x	n.b.	–		n.b.	–
2	135.3±9.1	0.35	–		–	–	–		21.2±7.3	0.42		–	–		–	–
3	>300	<0.3	–		24.6±3.2	0.39	–		–	–		‐	–		–	–	x
4	150.8±5.8	0.37	–	x	3.0±0.5	0.54	–	x	–	–	x	–	–	x	0.68	0.60	x
5	–	–	–		>300	0.39	–		19.9±2.4	0.64	x	–	–		n.b.	–	x
6	225.7±18.5	0.31	–	x	n.d.	–	–		–	–	x	–	–	x	–	–	x
7	56.6±5.4	0.36	–	x	>300	<0.29	–		118.0±45.1	0.33	x	–	–	x	–	–	x
8	140.7±34.1	0.33	–		n.d.	–	–		6.5±2.2	0.44		–	–		w.b.	–
9	107.6±11.0	0.36	3.5	x	36.2±7.6	0.40	5.3	x	64.6±26.4	0.38	x	n.b.	–	x	b.	–	x
10	119.7±22.4	0.33	0.86		254.5±24.9	0.31	1.7		54.3±19.7	0.36		n.b.	–	x	n.b.	–

IC₅₀ is reported in [μM] and represents the mean±standard deviation of three independent experiments, K _d is reported in [μM], and LE is reported in [kcal/mol]. n.d.: not determinable, n.b.: no binding, w.b.: weak binding.