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

Structure:

CMap ID:	C00149
Pert ID:	BRD-K84698278
Compound Name:	agomelatine
Targets:	HTR2A\|HTR2B\|HTR2C\|MTNR1A\|MTNR1B
MoA:	melatonin receptor agonist; serotonin receptor antagonist
SMILES:	COc1ccc2cccc(CCNC(C)=O)c2c1
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)
1438	BRD-K84698278	NPC	25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125988	BRD-K84698278	A549	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126012	BRD-K84698278	HA1E	0.04 uM	24 h	0.0	0.0	0.0	-0.27	-0.92	0.34
126059	BRD-K84698278	HT29	10 uM	24 h	0.0	0.0	0.0	0.21	0.75	0.04
126094	BRD-K84698278	HUVEC	3.33 uM	24 h	0.0	0.0	0.0	-0.24	-0.8	0.12
126142	BRD-K84698278	JURKAT	1.11 uM	24 h	0.0	0.0	0.0	-0.31	-1.03	0.63
126195	BRD-K84698278	MCF10A	0.04 uM	24 h	0.0	0.0	0.0	0.23	0.83	0.11
126313	BRD-K84698278	THP1	0.37 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134017	BRD-K84698278	A375	0.03 uM	24 h	0.0	0.0	0.0	0.3	1.07	0.63
134116	BRD-K84698278	HEK293	0.08 uM	24 h	0.0	0.0	0.0	-0.33	-1.11	0.91
134159	BRD-K84698278	HELA	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134236	BRD-K84698278	MCF??7.00	0.74 uM	24 h	0.0	0.0	0.0	0.27	0.94	0.29
134270	BRD-K84698278	MDAMB231	0.01 uM	24 h	0.21	0.87	0.01	0.0	0.0	0.0
134293	BRD-K84698278	PC3	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134324	BRD-K84698278	YAPC	2.22 uM	24 h	-0.23	-0.97	0.11	0.0	0.0	0.0

Summary