. Author manuscript; available in PMC: 2019 Sep 13.

Published in final edited form as: J Med Chem. 2018 Aug 31;61(17):8029–8047. doi: 10.1021/acs.jmedchem.8b01133

Table 1: IC₅₀ and K_d values.

IC₅₀ values, shown in nM units with 95% confidence intervals, were determined by fluorescence anisotropy. K_d values, shown in nM units ± standard deviation, were determined by surface plasmon resonance. ^aFluorescent interference from 15 impeded accurate determination of IC₅₀. ^b IC₅₀ and K_d values reported in Jain et al.¹. ND = Not determined

graphic file with name nihms-991474-t0018.jpg

Compound	R	R’	IC₅₀ (nM) (95% CI)	K_d (nM)
5	−H	−H	940 ^b (850 – 1300)	1700 ± 120 ^b
6a	−CH₂COOH	−CH₂COOH	25 ^b (19–31)	20 ± 3 ^b
6b	−CH₂CONH₂	−CH₂CONH₂	63 ^b (52 – 85)	44 ± 8 ^b
9b	−H	−H	>25000	ND
11b	−CH₂COOH	−CH₂COOH	980 (600–1600)	ND
11a	−CH₂COOH	−CH₂COOH	>25000	ND
15	−H	−H	ND^a	ND
17	−CH₂COOH	−CH₂COOH	60 (30–110)	102 ± 16
21	−H	−H	>25000	ND
23	−CH₂COOH	−CH₂COOH	101 (80–130)	103 ± 2
27	−H	−H	>25000	ND
29	−CH₂COOH	−CH₂COOH	1300 (390–5400)	ND
32	−H	−H	>25000	ND
34	−CH₂COOH	−H	1100 (435–2500)	> 10 μM
38	−CH₂COOH	−CH₂COOH	>25000	ND
40	−CH₂COOH	−CH₂COOH	>25000	ND
42	−CH₂COOH	−CH₂COOH	>25000	ND
46	−CH₂COOH	−CH₂COOH	>25000	ND

Table 1: IC50 and Kd values.

Table 1: IC₅₀ and K_d values.