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

Structure:

CMap ID:	C01691
Pert ID:	BRD-K97440753
Compound Name:	dihydroergocristine
Targets:	ADRA1A\|ADRB1\|DRD1\|DRD2\|DRD3\|DRD4\|DRD5\|HTR1A\|HTR2A\|HTR3A\|HTR4\|HTR5A\|HTR6\|HTR7
MoA:	adrenergic receptor antagonist; prolactin inhibitor
SMILES:	CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=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)
3305	BRD-K97440753	HCC515	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
3912	BRD-K97440753	VCAP	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
39868	BRD-K97440753	ASC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
40153	BRD-K97440753	HEPG2	10 uM	6 h	-0.25	-1.05	0.22	0.0	0.0	0.0
40962	BRD-K97440753	NEU	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
41287	BRD-K97440753	NPC	10 uM	24 h	0.26	1.08	0.22	-0.26	-0.87	0.22
41631	BRD-K97440753	SKB	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
91333	BRD-K97440753	HUH7	6.66 uM	72 h	0.18	0.75	0.0	-0.3	-1.01	0.56
128402	BRD-K97440753	A549	0.125 uM	24 h	-0.23	-0.96	0.1	0.0	0.0	0.0
128462	BRD-K97440753	HEK293	10 uM	24 h	-0.28	-1.15	0.44	0.0	0.0	0.0
128487	BRD-K97440753	HELA	10 uM	24 h	-0.29	-1.19	0.53	-0.37	-1.24	1.35
128572	BRD-K97440753	JURKAT	3.33 uM	24 h	-0.25	-1.06	0.25	0.0	0.0	0.0
128615	BRD-K97440753	MCF??7.00	0.04 uM	24 h	-0.28	-1.18	0.51	0.0	0.0	0.0
128664	BRD-K97440753	MDAMB231	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
128743	BRD-K97440753	THP1	10 uM	24 h	-0.34	-1.41	1.21	0.0	0.0	0.0
128782	BRD-K97440753	YAPC	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
136200	BRD-K97440753	A375	0.25 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
136245	BRD-K97440753	HA1E	2.22 uM	24 h	0.0	0.0	0.0	-0.41	-1.38	2.02
136300	BRD-K97440753	HT29	0.25 uM	24 h	0.0	0.0	0.0	-0.28	-0.96	0.43
136322	BRD-K97440753	MCF10A	0.03 uM	24 h	0.3	1.23	0.51	0.0	0.0	0.0
136374	BRD-K97440753	PC3	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0

Summary