CMap Candidate Details

Structure:
CMap ID: C33321
Pert ID: BRD-K97530723
Compound Name: melatonin
Targets: MTNR1A; MTNR1B
MoA: Melatonin receptor agonist; Nitric oxide synthase inhibitor
SMILES: COc1ccc2[nH]cc(CCNC(C)=O)c2c1
InchiKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
Compound Aliases: --

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)
90995 BRD-K97530723 HUH7 15 uM 72 h 0.0 0.0 0.0 0.0 0.0 0.0
117441 BRD-K97530723 HCC515 0.37 uM 24 h 0.0 0.0 0.0 0.29 1.02 0.48
117485 BRD-K97530723 HEPG2 0.04 uM 24 h -0.28 -1.16 0.45 0.0 0.0 0.0
119912 BRD-K97530723 MCF??7.00 0.125 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
119928 BRD-K97530723 PC3 10 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
128111 BRD-K97530723 A375 0.04 uM 24 h 0.0 0.0 0.0 -0.24 -0.81 0.13
128228 BRD-K97530723 MCF10A 1.11 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
128307 BRD-K97530723 MDAMB231 0.37 uM 24 h 0.0 0.0 0.0 0.3 1.06 0.59
135778 BRD-K97530723 A549 0.03 uM 24 h 0.21 0.88 0.01 0.28 0.98 0.37
135815 BRD-K97530723 HA1E 0.01 uM 24 h 0.0 0.0 0.0 -0.28 -0.94 0.37
135854 BRD-K97530723 HEK293 0.03 uM 24 h 0.0 0.0 0.0 0.29 1.03 0.52
135902 BRD-K97530723 HELA 0.03 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
135947 BRD-K97530723 HT29 0.01 uM 24 h 0.0 0.0 0.0 0.2 0.71 0.02
135991 BRD-K97530723 JURKAT 0.08 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
136092 BRD-K97530723 THP1 0.74 uM 24 h 0.0 0.0 0.0 0.2 0.71 0.02
136137 BRD-K97530723 YAPC 0.08 uM 24 h 0.0 0.0 0.0 -0.21 -0.72 0.04
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).