CMap Candidate Details

Structure:
CMap ID: C21115
Pert ID: BRD-K58951486
Compound Name: rocuronium
Targets: CHRNA2
MoA: Acetylcholine receptor antagonist
SMILES: CC(=O)O[C@@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
InchiKey: YXRDKMPIGHSVRX-KKBURWSNSA-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)
123802 BRD-K58951486 A375 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
123841 BRD-K58951486 A549 0.37 uM 24 h 0.21 0.86 0.01 0.0 0.0 0.0
123907 BRD-K58951486 HEK293 3.33 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
124008 BRD-K58951486 JURKAT 0.37 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
124061 BRD-K58951486 MCF10A 10 uM 24 h 0.21 0.88 0.02 0.0 0.0 0.0
124129 BRD-K58951486 MDAMB231 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
124190 BRD-K58951486 THP1 0.37 uM 24 h 0.26 1.07 0.2 0.33 1.18 0.97
124242 BRD-K58951486 YAPC 0.04 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
132168 BRD-K58951486 HA1E 0.74 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
132200 BRD-K58951486 HELA 0.01 uM 24 h -0.21 -0.87 0.02 0.0 0.0 0.0
132232 BRD-K58951486 HT29 0.03 uM 24 h 0.2 0.82 0.0 -0.35 -1.18 1.14
132256 BRD-K58951486 MCF??7.00 0.08 uM 24 h 0.0 0.0 0.0 -0.28 -0.93 0.35
132300 BRD-K58951486 PC3 0.01 uM 24 h 0.0 0.0 0.0 -0.34 -1.14 1.03
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).