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

Structure:

CMap ID:	C03512
Pert ID:	BRD-A65280694
Compound Name:	molindone
Targets:	CHRM1\|DRD2\|HRH1\|HTR1A\|HTR2A
MoA:	dopamine receptor antagonist
SMILES:	CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
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)
49955	BRD-A65280694	A549	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
50306	BRD-A65280694	HCC515	10 uM	6 h	0.27	1.14	0.32	0.0	0.0	0.0
50987	BRD-A65280694	VCAP	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
100273	BRD-A65280694	U2OS	6.66 uM	6 h	-0.17	-0.71	0.0	0.0	0.0	0.0
124589	BRD-A65280694	A375	10 uM	24 h	0.0	0.0	0.0	0.25	0.88	0.19
124817	BRD-A65280694	MDAMB231	0.04 uM	24 h	0.0	0.0	0.0	-0.31	-1.04	0.68
124860	BRD-A65280694	PC3	3.33 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
132732	BRD-A65280694	HA1E	0.08 uM	24 h	0.0	0.0	0.0	-0.29	-0.99	0.5
132774	BRD-A65280694	HEK293	2.22 uM	24 h	0.0	0.0	0.0	-0.19	-0.64	0.01
132799	BRD-A65280694	HELA	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
132818	BRD-A65280694	HT29	0.01 uM	24 h	0.22	0.92	0.04	0.2	0.72	0.02
132848	BRD-A65280694	JURKAT	0.74 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
132888	BRD-A65280694	MCF10A	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
132913	BRD-A65280694	MCF??7.00	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
132937	BRD-A65280694	THP1	0.74 uM	24 h	0.0	0.0	0.0	-0.32	-1.09	0.82
132970	BRD-A65280694	YAPC	0.01 uM	24 h	0.25	1.03	0.14	0.0	0.0	0.0

Summary