RO 31-8220 - Small Molecule (ID:10407-103)

HMS LINCS ID: 10407-103
Name: RO 31-8220
Alternative Names: Bisindolylmaleimide IX
LINCS ID:
PubChem CID: 5083
ChEBI ID:
ChEMBL ID:
Molecular Mass: 457.16
InChi: InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
InChi Key: DSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N
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)
GSK3B, PIM1, PKD1, PRKACA, Prkca, PRKCA, Prkcb, PRKCB, Prkcd, PRKCD, Prkce, PRKCE, Prkcg, PRKCG, Prkch, PRKCH, PRKCI, Prkcq, PRKCQ, Prkcz, PRKCZ, PRKD1, PRKD3, RPS6KA3, RPS6KB1
2
(equivalent to 100 nM ≤ Kd < 1µM)
SIRT2
3
(equivalent to 1µM ≤ Kd < 10 µM)
MAPT, SIRT1, SIRT3
10
(confirmed non-binding)
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Batch Information for HMSL10407-103-1:

HMS LINCS Batch ID: 10407-103-1
Provider: MedChem Express
Provider Batch ID: 09901
Salt: 103
Molecular Formula: C26H27N5O5S2
Molecular Weight: 553.65
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10407-103-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10407-103-1_LCMS.pdf