CMap Candidate Details

Structure:
CMap ID: C29384
Pert ID: BRD-K84986517
Compound Name: darunavir
Targets: CYP3A4
MoA: HIV protease inhibitor
SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
InchiKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-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)
125566 BRD-K84986517 A375 1.11 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
125639 BRD-K84986517 HEK293 3.33 uM 24 h -0.19 -0.79 0.0 0.0 0.0 0.0
125715 BRD-K84986517 HUVEC 0.125 uM 24 h 0.23 0.94 0.06 0.35 1.24 1.24
125795 BRD-K84986517 MCF10A 0.125 uM 24 h 0.0 0.0 0.0 -0.36 -1.22 1.25
125843 BRD-K84986517 MDAMB231 10 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
125914 BRD-K84986517 YAPC 0.37 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133659 BRD-K84986517 A549 2.22 uM 24 h 0.0 0.0 0.0 -0.37 -1.23 1.25
133687 BRD-K84986517 HA1E 2.22 uM 24 h 0.0 0.0 0.0 -0.35 -1.19 1.15
133753 BRD-K84986517 HELA 0.25 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133788 BRD-K84986517 HT29 0.01 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133819 BRD-K84986517 JURKAT 0.74 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133875 BRD-K84986517 MCF??7.00 0.74 uM 24 h 0.0 0.0 0.0 0.0 0.0 0.0
133934 BRD-K84986517 PC3 0.03 uM 24 h 0.0 0.0 0.0 -0.24 -0.8 0.11
133965 BRD-K84986517 THP1 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).