. 2014 Jan 22;5(4):422–427. doi: 10.1021/ml500002n

Table 1. Preliminary SAR of X, R⁶, and R³ Substituents.

graphic file with name ml-2014-00002n_0006.jpg

	R³	R⁶	X	K_d-app^a (μM)	IC₅₀^b (μM)	EC₅₀^c (μM)	CC₅₀^d (μM)
1	H	Cl	H		9.1	>40
2	H	Br	H		5.1	>33
3	H	H	H		24
4	H	Br	Me		0.35	20
5	H	Br	Cl		0.27	16	>64
6	H	H	Cl		3.1	>43
7	Me	Br	Cl		0.31	13
8	n-Pr	Br	Cl		0.077	0.92	94
9	OMe	Br	Cl		0.040	0.99	>64
10	(R)-OMe	Br	Cl		3.1	47
11	(S)-OMe	Br	Cl	4.7	0.028	0.45	>51
12	(S)-Oi-Pr	Br	Cl	0.28		0.13	>50
13	(S)-Ot-Bu	Br	Cl	0.15		0.078	>5

K_d-app determined using displacement assay.

IC₅₀ determined with LTR-cleavage assay.

EC₅₀ determined with HxB2 virus (A124/T125 IN variant).

CC₅₀ determined as previously described (see ref (18)).

Table 1. Preliminary SAR of X, R6, and R3 Substituents.