CMap Candidate Details

Structure:
CMap ID: C20033
Pert ID: BRD-K55395145
Compound Name: pemetrexed
Targets: DHFR; GART; TYMS
MoA: Thymidylate synthase inhibitor; Dihydrofolate reductase inhibitor
SMILES: Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
InchiKey: WBXPDJSOTKVWSJ-CYBMUJFWSA-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)
8957 BRD-K55395145 A375 90 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
9446 BRD-K55395145 AGS 90 uM 6 h 0.0 0.0 0.0 -0.24 -0.8 0.11
9752 BRD-K55395145 H1299 90 uM 6 h -0.27 -1.14 0.42 0.0 0.0 0.0
9893 BRD-K55395145 HA1E 90 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
10271 BRD-K55395145 HCC515 90 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
10537 BRD-K55395145 HCT116 90 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
10803 BRD-K55395145 HEPG2 90 uM 6 h 0.0 0.0 0.0 -0.28 -0.95 0.4
10985 BRD-K55395145 HT29 90 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
11150 BRD-K55395145 MCF??7.00 90 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
11784 BRD-K55395145 NCIH508 90 uM 6 h 0.0 0.0 0.0 0.0 0.0 0.0
12073 BRD-K55395145 NCIH596 90 uM 6 h -0.2 -0.84 0.0 0.0 0.0 0.0
12612 BRD-K55395145 PC3 90 uM 6 h 0.0 0.0 0.0 -0.29 -0.97 0.45
12814 BRD-K55395145 SW480 90 uM 6 h 0.0 0.0 0.0 0.2 0.69 0.01
13299 BRD-K55395145 U937 90 uM 6 h 0.0 0.0 0.0 0.2 0.69 0.01
13483 BRD-K55395145 VCAP 90 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
96156 BRD-K55395145 A549 10 uM 24 h -0.24 -0.98 0.12 0.21 0.73 0.03
The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).