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

Structure:

CMap ID:	C03226
Pert ID:	BRD-K81332461
Compound Name:	maxacalcitol
Targets:	VDR
MoA:	vitamin D receptor agonist
SMILES:	[2H]C([2H])([2H])C(O)(CCO[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)C([2H])([2H])[2H]
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)
90632	BRD-K81332461	HCT116	1.67 uM	24 h	0.0	0.0	0.0	0.26	0.92	0.24
90670	BRD-K81332461	MCF10A	0.02 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
98070	BRD-K81332461	P1A82	4 uM	24 h	0.24	0.99	0.1	0.0	0.0	0.0
126046	BRD-K81332461	HT29	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126073	BRD-K81332461	HUVEC	0.37 uM	24 h	0.0	0.0	0.0	0.31	1.08	0.66
126115	BRD-K81332461	JURKAT	0.37 uM	24 h	-0.21	-0.89	0.03	0.18	0.64	0.0
126233	BRD-K81332461	MDAMB231	1.11 uM	24 h	0.23	0.96	0.08	0.0	0.0	0.0
126256	BRD-K81332461	PC3	1.11 uM	24 h	0.0	0.0	0.0	-0.36	-1.23	1.25
126287	BRD-K81332461	THP1	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
126333	BRD-K81332461	YAPC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
133999	BRD-K81332461	A375	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134030	BRD-K81332461	A549	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134059	BRD-K81332461	HA1E	0.74 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134089	BRD-K81332461	HEK293	0.03 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134140	BRD-K81332461	HELA	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
134221	BRD-K81332461	MCF??7.00	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0

Summary