Table 2.

Summary of pharmacophore-based virtual screening results

Library name	No. compounds	No. compounds retrieved												Common compounds in ROCK1 and TGFBR1 models
		ROCK1 models						TGFBR1 models
		Ligand-based			Interaction-based			Ligand-based			Interaction-based
		3V8S,4	4YVC,4	5BML,1	6E9W,1	3V8S,1	4YVE,2	1RW8,2	1PY5,5	3KCF,1	5QIL,1	1PY5,2	3KCF,10
Drug Bank	11,172	433	313	314	172	200	345	940	1182	248	534	138	713	713
Kinase3D	36,324	756	3098	161	2137	785	1509	407	1167	1329	6303	983	11,393	1801
Kinaset3D	12,249	247	560	59	478	500	796	393	729	3027	1811	244	3106	176
KinaCore3D	10,614	507	143	338	147	174	9	1865	157	1795	2076	543	125	101
Chembridge 3D	78,325	13,850	406	224	569	1789	1076	1287	5631	503	2401	127	6698	1291
Total Compounds	148,684													4082