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

Structure:

CMap ID:	C05040
Pert ID:	BRD-K90027355
Compound Name:	spironolactone
Targets:	AR\|CACNA1A\|CACNA1B\|CACNA1C\|CACNA1D\|CACNA1F\|CACNA1G\|CACNA1H\|CACNA1I\|CACNA1S\|CACNA2D1\|CACNA2D2\|CACNA2D3\|CACNB1\|CACNB2\|CACNB3\|CACNB4\|CACNG1\|CYP11B2\|NR3C1\|NR3C2\|PGR\|SHBG
MoA:	mineralocorticoid receptor antagonist
SMILES:	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
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)
1658	BRD-K90027355	HA1E	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
2228	BRD-K90027355	PC3	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
2545	BRD-K90027355	VCAP	10 uM	24 h	0.0	0.0	0.0	-0.24	-0.8	0.12
39818	BRD-K90027355	ASC	10 uM	24 h	0.0	0.0	0.0	-0.33	-1.12	0.94
40918	BRD-K90027355	NEU	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
41241	BRD-K90027355	NPC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
41581	BRD-K90027355	SKB	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
49908	BRD-K90027355	A375	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
50075	BRD-K90027355	A549	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
50430	BRD-K90027355	HCC515	10 uM	6 h	0.24	1.0	0.11	0.39	1.39	2.17
50607	BRD-K90027355	HT29	10 uM	6 h	0.0	0.0	0.0	0.41	1.47	2.24
50695	BRD-K90027355	MCF??7.00	10 uM	24 h	0.0	0.0	0.0	-0.22	-0.73	0.04
52752	BRD-K90027355	HEPG2	20 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
53086	BRD-K90027355	MCF10A	30 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
91459	BRD-K90027355	HUH7	8 uM	72 h	0.0	0.0	0.0	0.19	0.66	0.01

Summary