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

Structure:

CMap ID:	C03204
Pert ID:	BRD-K48812570
Compound Name:	macitentan
Targets:	EDNRA\|EDNRB
MoA:	endothelin receptor antagonist
SMILES:	CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
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)
96500	BRD-K48812570	A375	3.33 uM	24 h	0.33	1.39	1.02	0.31	1.1	0.69
125622	BRD-K48812570	A549	10 uM	24 h	0.21	0.86	0.01	0.3	1.07	0.63
125685	BRD-K48812570	HELA	0.125 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125756	BRD-K48812570	HUVEC	10 uM	24 h	-0.21	-0.88	0.03	0.0	0.0	0.0
125836	BRD-K48812570	MCF??7.00	1.11 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125882	BRD-K48812570	PC3	1.11 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125954	BRD-K48812570	YAPC	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133715	BRD-K48812570	HA1E	0.08 uM	24 h	0.24	1.02	0.13	0.0	0.0	0.0
133745	BRD-K48812570	HEK293	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133810	BRD-K48812570	HT29	0.74 uM	24 h	0.0	0.0	0.0	0.38	1.34	1.72
133835	BRD-K48812570	JURKAT	0.25 uM	24 h	0.17	0.72	0.0	0.0	0.0	0.0
133870	BRD-K48812570	MCF10A	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133928	BRD-K48812570	MDAMB231	0.03 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133990	BRD-K48812570	THP1	0.25 uM	24 h	-0.22	-0.91	0.05	0.3	1.07	0.64

Summary