Embelin - Small Molecule (ID:10294-101)

HMS LINCS ID: 10294-101
Name: Embelin
Alternative Names:
LINCS ID: LSM-6311
PubChem CID: 3218
ChEBI ID:
ChEMBL ID: 221137
Molecular Mass: 294.18
InChi: InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChi Key: IRSFLDGTOHBADP-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
2
(equivalent to 100 nM ≤ Kd < 1µM)
ALOX5, MPEG1, XIAP
3
(equivalent to 1µM ≤ Kd < 10 µM)
TDP1
10
(confirmed non-binding)

Datasets:

HMS Dataset ID Dataset Title HMS Dataset Type
20000
Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library.
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10294-101-1 Sigma-Aldrich 057K4702