RO-3306 - Small Molecule (ID:10104-101)

HMS LINCS ID: 10104-101
Name: RO-3306
Alternative Names:
LINCS ID: LSM-42788
PubChem CID: 71433937
ChEBI ID:
ChEMBL ID: 393929
Molecular Mass: 351.05
InChi: InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
InChi Key: XOLMRFUGOINFDQ-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2018-03-30

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
CDK1
2
(equivalent to 100 nM ≤ Kd < 1µM)
CDK2, DYRK1A, DYRK1B, GSK3A, GSK3B, PRKCD, STK17A
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT1, AKT2, AKT3, CDK4, EPHB3, FYN, MAPK1, PRKACA, PRKCA, RPS6KA3
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
20202
RO-3306 KINOMEscan
 KINOMEscan
20354
Breast Cancer Profiling Project, Drug Sensitivity phase II: Fixed-cell GR measures of 33 breast cell lines and PDX lines to 16 small molecule perturbagens from library plate II. Dataset 1 of 2: Normalized growth rate inhibition values
 Microscopy/Imaging
20355
Breast Cancer Profiling Project, Drug Sensitivity phase II: Fixed-cell GR measures of 33 breast cell lines and PDX lines to 16 small molecule perturbagens from library plate II. Dataset 2 of 2: Calculated dose response metrics
 Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10104-101-1 Calbiochem D00092962
10104-101-2 Sigma-Aldrich 026M4708V