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

Structure:

CMap ID:	C00949
Pert ID:	BRD-K02404261
Compound Name:	caffeine
Targets:	ADORA1\|ADORA2A\|ADORA2B\|ADORA3\|ATM\|ITPR1\|ITPR2\|ITPR3\|PDE10A\|PDE11A\|PDE1A\|PDE1B\|PDE1C\|PDE2A\|PDE3A\|PDE3B\|PDE4A\|PDE4B\|PDE4C\|PDE4D\|PDE5A\|PDE6A\|PDE6B\|PDE6C\|PDE7A\|PDE7B\|PDE8A\|PDE8B\|PDE9A\|PIK3CA\|PIK3CB\|PIK3CD\|PRKDC\|RYR1\|RYR2\|RYR3
MoA:	adenosine receptor antagonist; phosphodiesterase inhibitor
SMILES:	Cn1cnc2n(C)c(=O)n(C)c(=O)c12
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)
5568	BRD-K02404261	HCC515	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
6509	BRD-K02404261	VCAP	10 uM	6 h	0.21	0.87	0.01	0.0	0.0	0.0
37576	BRD-K02404261	ASC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
52892	BRD-K02404261	HEPG2	40 uM	24 h	0.0	0.0	0.0	-0.35	-1.19	1.15
53347	BRD-K02404261	MCF10A	100 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
95534	BRD-K02404261	A549	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
98859	BRD-K02404261	NEU	10 uM	24 h	0.0	0.0	0.0	-0.29	-0.99	0.51
99124	BRD-K02404261	NPC	10 uM	24 h	0.0	0.0	0.0	-0.32	-1.07	0.78
99968	BRD-K02404261	U2OS	10 uM	6 h	0.28	1.18	0.39	0.0	0.0	0.0
122837	BRD-K02404261	A375	10 uM	24 h	-0.22	-0.93	0.07	0.0	0.0	0.0
122907	BRD-K02404261	HEK293	0.125 uM	24 h	0.29	1.22	0.47	0.0	0.0	0.0
122945	BRD-K02404261	HELA	10 uM	24 h	0.26	1.09	0.23	0.0	0.0	0.0
122982	BRD-K02404261	HT29	0.37 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
123032	BRD-K02404261	JURKAT	0.04 uM	24 h	0.0	0.0	0.0	-0.38	-1.27	1.43
123122	BRD-K02404261	MDAMB231	0.04 uM	24 h	0.29	1.22	0.48	-0.22	-0.75	0.06
123194	BRD-K02404261	THP1	0.125 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
131287	BRD-K02404261	HA1E	0.25 uM	24 h	0.23	0.95	0.07	-0.33	-1.1	0.86
131370	BRD-K02404261	HUVEC	2.22 uM	24 h	0.0	0.0	0.0	0.35	1.22	1.19
131445	BRD-K02404261	MCF??7.00	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
131469	BRD-K02404261	PC3	0.25 uM	24 h	0.0	0.0	0.0	-0.33	-1.1	0.86
131507	BRD-K02404261	YAPC	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0

Summary