. Author manuscript; available in PMC: 2017 Mar 22.

Published in final edited form as: J Chem Inf Model. 2017 Jan 18;57(2):311–321. doi: 10.1021/acs.jcim.6b00263

Table 4.

Affinities of the hits from the virtual screening cascade.

Compound ID	Chemical structure	K_i [nM]				ICMscore
Compound ID	Chemical structure	5-HT_1A	5-HT_2A	5-HT₆	5-HT₇	ICMscore
5464140^a		221	2850	1326	380	−33.68
6216810^a		364	1853	37	878	−33.74
26560725^a		1498	5518	4842	21650	−34.08
18774467^a		2704	21070	8739	16520	−37.81
18136999^a		3243	7033	11220	10390	−35.25
12438168^a		4291	21230	11270	19260	−35.01
G370-1604^b		6099	10560	10480	7567	−33.55
39866030^a		7732	21	6147	484	−32.41
66929343^a		9964	2206	3793	2783	−37.00
G500-0869^b		11760	23360	10170	2665	−33.75
38222805^a		15000	2241	6696	3870	−36.23
56468062^a		17440	16340	3131	7204	−38.94
D174-0581^b		17750	3755	13520	6476	−34.47
E787-1093^b		19410	19270	4111	20630	−33.74
17132328^a		22260	8544	17010	17700	−35.28
9228210^a		23950	18610	14470	833	−35.95

Chembridge database id,

Chemdiv database id