. Author manuscript; available in PMC: 2017 Oct 20.

Published in final edited form as: J Immunol. 2017 Mar 15;198(8):3296–3306. doi: 10.4049/jimmunol.1602059

Table I.

CADD-identified p38α ED site-binding candidates screened for p38α binding

CADD no.	Compound ID^a	m.w.	logP^b	p38α ΔTm (°C) at 100 μM^c	ERK2 ΔTm (°C) at 100 μM^c
2	SEW 06373	417	3.19	−0.05	0.412
3	HTS 02798	415	0.67	0.282	0.337
4	HTS 13333	312	−1.10	0.065	0.452
5	SCR 00846	418	2.22	0.808	0.628
8	AW 00509	317	1.13	−0.07	0.531
13	SEW 06264	309	0.28	0.005	0.390
16	SCR 00610	339	1.69	−0.052	0.444
23	SCR 01200	378	2.79	−0.488	−0.598
29	BTB 05645	350	3.07	−0.353	0.342
31	KM 04113	304	1.83	−0.278	0.153
43	CD 11992	300	1.16	−0.485	0.151
55	SP 01164	2.11	1.92	−0.506	0.022
60	BTB 13869	426	0.28	0.735	0.195
63	PD 00612	294	0.61	−0.287	0.075
69	KM 00081	345	1.68	−0.233	0.361
101	HTS 05732	378	2.31	0.667	0.0175
115	NRB 03986	278	3.88	−0.156	0.246
141	SEW 02182	318	2.46	0.554	0.238
146	KM 10445	313	2.55	−1.084	−1.632
150	HTS 03239	341	1.68	−0.171	0.133

Compound ID from Maybridge portfolio.

logP is the logarithm of the estimated octanol/water partition coefficient, a measure of compound solubility.

Change in melting temperature relative to DMSO control in DSF assay.