Abemaciclib - Small Molecule (ID:10390-103)

HMS LINCS ID: 10390-103
Name: Abemaciclib
Alternative Names: LY2835219
LINCS ID:
PubChem CID: 46220502
ChEBI ID:
ChEMBL ID:
Molecular Mass: 506.27
InChi: InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
InChi Key: UZWDCWONPYILKI-UHFFFAOYSA-N
SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
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)
CDK4, CDK6

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
20338
Abemaciclib KINOMEscan
 KINOMEscan
20343
Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 1 of 2: Normalized growth rate inhibition values
 Microscopy/Imaging
20344
Breast Cancer Profiling Project, Drug Sensitivity phase I: Fixed-cell GR measures of 35 breast cell lines to 34 small molecule perturbagens from library plate I. Dataset 2 of 2: Calculated dose response metrics
 Analysis
20371
Quantitative data for differentially expressed phosphopeptides in MCF7 cells treated with palbociclib or abemaciclib at either 0.3 or 3.0 μM and untreated controls
 Phosphoproteomics
20372
mRNA-seq gene expression data for seven cell lines treated with one of three CDK4/6 inhibitors at 0.3, 1.0, or 3.0 μM for 6 or 24 hours
 RNA-Seq
20373
DGE-seq Gene expression data for 7 breast cancer cell lines treated with abemaciclib, palbociclib, ribociclib at 0.1, 0.3, 1, or 3 μM, or alvocidib at 0.1 or 1 μM for 6 hours
 RNA-Seq

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10390-103-1 MedChem Express 0'8492