CKDkb: a knowledge base and platform for drug development against non-alcoholic fatty liver disease

Structure:

CMap ID:	C04382
Pert ID:	BRD-K46290096
Compound Name:	preladenant
Targets:	ADORA1\|ADORA2A\|ADORA2B\|ADORA3
MoA:	adenosine receptor antagonist
SMILES:	COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
InchiKey:
Compound Aliases:

The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).
Score ID	Pert ID	Cell Line	Pert Dose	Pert Time	Raw Score (GSE126848)	Normalized Score (GSE126848)	fdr_q_nlog10 (GSE126848)	Raw Score (GSE135251)	Normalized Score (GSE135251)	fdr_q_nlog10 (GSE135251)
125235	BRD-K46290096	A375	10 uM	24 h	-0.25	-1.06	0.25	-0.31	-1.06	0.72
125302	BRD-K46290096	HEK293	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125437	BRD-K46290096	MCF??7.00	3.33 uM	24 h	0.0	0.0	0.0	-0.28	-0.93	0.34
125491	BRD-K46290096	PC3	0.125 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133359	BRD-K46290096	A549	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133383	BRD-K46290096	HA1E	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133412	BRD-K46290096	HELA	0.01 uM	24 h	0.22	0.93	0.05	-0.22	-0.75	0.06
133447	BRD-K46290096	HT29	0.03 uM	24 h	-0.24	-1.02	0.18	0.0	0.0	0.0
133477	BRD-K46290096	JURKAT	0.25 uM	24 h	0.28	1.18	0.39	0.0	0.0	0.0
133508	BRD-K46290096	MCF10A	0.74 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133545	BRD-K46290096	MDAMB231	0.08 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133601	BRD-K46290096	THP1	2.22 uM	24 h	-0.22	-0.93	0.07	-0.27	-0.91	0.29
133623	BRD-K46290096	YAPC	2.22 uM	24 h	-0.23	-0.95	0.09	0.0	0.0	0.0

Summary