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CMap Candidate Details

Structure:
CMap ID: C01780
Pert ID: BRD-K31092604
Compound Name: donitriptan
Targets: HTR1A|HTR1B|HTR1D|HTR1E|HTR1F|HTR2A|HTR5A|HTR6
MoA: serotonin receptor agonist
SMILES: NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)C#N)cc12
InchiKey:
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)
121901 BRD-K31092604 A375 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
121963 BRD-K31092604 HEK293 10 uM 24 h 0.0 0.0 0.0 -0.28 -0.95 0.4
122058 BRD-K31092604 HUVEC 10 uM 24 h 0.0 0.0 0.0 -0.33 -1.13 0.98
122112 BRD-K31092604 MCF??7.00 0.125 uM 24 h 0.0 0.0 0.0 -0.3 -1.0 0.55
122144 BRD-K31092604 MDAMB231 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
122170 BRD-K31092604 PC3 0.125 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
122197 BRD-K31092604 THP1 3.33 uM 24 h 0.27 1.14 0.3 -0.39 -1.3 1.58
122220 BRD-K31092604 YAPC 0.125 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
130206 BRD-K31092604 A549 0.03 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
130236 BRD-K31092604 HA1E 0.25 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
130295 BRD-K31092604 HELA 0.03 uM 24 h 0.19 0.79 0.0 -0.25 -0.85 0.2
130324 BRD-K31092604 HT29 0.25 uM 24 h 0.0 0.0 0.0 0.26 0.92 0.24
130359 BRD-K31092604 JURKAT 0.03 uM 24 h -0.2 -0.84 0.0 -0.28 -0.95 0.39
130407 BRD-K31092604 MCF10A 0.74 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).