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

Structure:

CMap ID:	C05186
Pert ID:	BRD-K80343549
Compound Name:	TAK-285
Targets:	ERBB2
MoA:	EGFR inhibitor
SMILES:	CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)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)
125959	BRD-K80343549	A375	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
125976	BRD-K80343549	A549	3.33 uM	24 h	0.0	0.0	0.0	-0.28	-0.96	0.42
125994	BRD-K80343549	HA1E	10 uM	24 h	0.0	0.0	0.0	0.23	0.8	0.08
126023	BRD-K80343549	HELA	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126043	BRD-K80343549	HT29	10 uM	24 h	0.33	1.37	0.97	0.31	1.11	0.72
126067	BRD-K80343549	HUVEC	10 uM	24 h	0.0	0.0	0.0	-0.32	-1.07	0.77
126107	BRD-K80343549	JURKAT	10 uM	24 h	-0.26	-1.07	0.26	-0.36	-1.22	1.24
126162	BRD-K80343549	MCF10A	0.04 uM	24 h	-0.24	-1.0	0.15	0.0	0.0	0.0
126229	BRD-K80343549	MDAMB231	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126280	BRD-K80343549	THP1	3.33 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126331	BRD-K80343549	YAPC	10 uM	24 h	0.0	0.0	0.0	0.33	1.15	0.9
134081	BRD-K80343549	HEK293	0.01 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134217	BRD-K80343549	MCF??7.00	0.74 uM	24 h	0.0	0.0	0.0	0.29	1.02	0.48
134281	BRD-K80343549	PC3	0.01 uM	24 h	0.0	0.0	0.0	0.24	0.86	0.16

Summary