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

Structure:

CMap ID:	C05581
Pert ID:	BRD-K62685538
Compound Name:	triptorelin
Targets:	GNRHR
MoA:	gonadotropin releasing factor hormone receptor agonist
SMILES:	CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
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)
124931	BRD-K62685538	A375	0.04 uM	24 h	0.26	1.1	0.24	-0.41	-1.39	2.02
124959	BRD-K62685538	A549	0.04 uM	24 h	0.0	0.0	0.0	0.31	1.1	0.69
125019	BRD-K62685538	HELA	0.04 uM	24 h	0.32	1.35	0.96	0.0	0.0	0.0
125051	BRD-K62685538	HT29	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125069	BRD-K62685538	MCF10A	0.125 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125103	BRD-K62685538	MDAMB231	0.04 uM	24 h	0.0	0.0	0.0	-0.33	-1.12	0.95
125129	BRD-K62685538	PC3	0.04 uM	24 h	0.0	0.0	0.0	0.27	0.94	0.29
125150	BRD-K62685538	THP1	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125199	BRD-K62685538	YAPC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133009	BRD-K62685538	HA1E	0.03 uM	24 h	-0.27	-1.12	0.39	-0.46	-1.54	15.35
133036	BRD-K62685538	HEK293	2.22 uM	24 h	0.0	0.0	0.0	-0.36	-1.22	1.25
133143	BRD-K62685538	JURKAT	0.03 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133217	BRD-K62685538	MCF??7.00	0.74 uM	24 h	0.31	1.3	0.72	0.0	0.0	0.0

Summary