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

Structure:

CMap ID:	C03277
Pert ID:	BRD-K97530723
Compound Name:	melatonin
Targets:	ASMT\|CALM1\|CALR\|EPX\|ESR1\|HTR2B\|MPO\|MTNR1A\|MTNR1B\|NQO2\|RORB
MoA:	melatonin receptor agonist; nitric oxide synthase inhibitor
SMILES:	COc1ccc2[nH]cc(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)
90995	BRD-K97530723	HUH7	15 uM	72 h	0.0	0.0	0.0	0.0	0.0	0.0
117441	BRD-K97530723	HCC515	0.37 uM	24 h	0.0	0.0	0.0	0.29	1.02	0.48
117485	BRD-K97530723	HEPG2	0.04 uM	24 h	-0.28	-1.16	0.45	0.0	0.0	0.0
119912	BRD-K97530723	MCF??7.00	0.125 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
119928	BRD-K97530723	PC3	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
128111	BRD-K97530723	A375	0.04 uM	24 h	0.0	0.0	0.0	-0.24	-0.81	0.13
128228	BRD-K97530723	MCF10A	1.11 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
128307	BRD-K97530723	MDAMB231	0.37 uM	24 h	0.0	0.0	0.0	0.3	1.06	0.59
135778	BRD-K97530723	A549	0.03 uM	24 h	0.21	0.88	0.01	0.28	0.98	0.37
135815	BRD-K97530723	HA1E	0.01 uM	24 h	0.0	0.0	0.0	-0.28	-0.94	0.37
135854	BRD-K97530723	HEK293	0.03 uM	24 h	0.0	0.0	0.0	0.29	1.03	0.52
135902	BRD-K97530723	HELA	0.03 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
135947	BRD-K97530723	HT29	0.01 uM	24 h	0.0	0.0	0.0	0.2	0.71	0.02
135991	BRD-K97530723	JURKAT	0.08 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
136092	BRD-K97530723	THP1	0.74 uM	24 h	0.0	0.0	0.0	0.2	0.71	0.02
136137	BRD-K97530723	YAPC	0.08 uM	24 h	0.0	0.0	0.0	-0.21	-0.72	0.04

Summary