Sigma A6730 - Small Molecule (ID:10035-109)

HMS LINCS ID: 10035-109
Name: Sigma A6730
Alternative Names: KIN001-102; AKT inhibitor VIII; Akt1/2 kinase inhibitor
LINCS ID: LSM-1035
PubChem CID: 10196499
ChEBI ID:
ChEMBL ID: 258844
Molecular Mass: 551.24
InChi: InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
InChi Key: BIWGYFZAEWGBAL-UHFFFAOYSA-N
SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=CC7=C(C=C6N=C5C8=CC=CC=C8)N=CN7
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)
AKT1
2
(equivalent to 100 nM ≤ Kd < 1µM)
AKT2, CAMK1, MYLK
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT3
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
20120
Metrics other than potency reveal systematic variation in responses to cancer drugs
 Analysis
20233
Synovial Fibroblast 1: Secretion response of primary human synovial fibroblast samples from one healthy and one rheumatoid arthritis donor to a panel of 10 stimuli and 10 small molecule inhibitors
 Bead-based immunoassay
20268
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates.
 Analysis
20269
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics.
Analysis
20270
Growth rate-corrected (GR) dose-response metric signatures across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 3 of 4: Median, upper quartile, and lower quartile GR metrics per perturbagen.
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10035-109-2 Sigma-Aldrich
10035-109-4 Sigma-Aldrich