XMD-12 - Small Molecule (ID:10106-101)

HMS LINCS ID: 10106-101
Name: XMD-12
Alternative Names:
LINCS ID: LSM-1106
PubChem CID: 54592204
ChEBI ID:
ChEMBL ID:
Molecular Mass: 430.21
InChi: InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)
InChi Key: DFQAJLQXPSPNJE-UHFFFAOYSA-N
SMILES: CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O)C
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)
DCLK2, MAP3K2, MAP3K3, MAPK7, TAOK1, TAOK2, TNK1
10
(confirmed non-binding)
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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
20001
Moerke 2 Color Apoptosis
 Microscopy/Imaging
20002
Moerke 3 Color Apoptosis
 Microscopy/Imaging
20004
Tang Proliferation/Mitosis
 Microscopy/Imaging
20103
XMD-12 KiNativ -- single dose experiment
 KiNativ
20115
XMD-12 KINOMEscan
 KINOMEscan

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10106-101-1 Nathanael Gray (DFCI) synthesized 1/2009