XMD8-85 - Small Molecule (ID:10093-101)

HMS LINCS ID: 10093-101
Name: XMD8-85
Alternative Names:
LINCS ID: LSM-1093
PubChem CID: 46844147
ChEBI ID:
ChEMBL ID:
Molecular Mass: 459.24
InChi: InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
InChi Key: DDTPGANIPBKTNU-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
DCLK1, DCLK2, TNK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
GAK, MAPK7, MKNK2, TNK2
10
(confirmed non-binding)
(Click to show)

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
20076
XMD8-85 KINOMEscan
KINOMEscan
20101
XMD8-85 KiNativ -- single dose experiment
KiNativ

KINOMEscan Image

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10093-101-1 Nathanael Gray (DFCI) XMD8-85-1
10093-101-2 Nathanael Gray (DFCI)