BS-181 - Small Molecule (ID:10286-102)

HMS LINCS ID: 10286-102
Name: BS-181
Alternative Names:
LINCS ID: LSM-6305
PubChem CID: 49867929
ChEBI ID:
ChEMBL ID:
Molecular Mass: 380.27
InChi: InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
InChi Key: DNYBIOICMDTDAP-UHFFFAOYSA-N
SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN
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)
CCNH, CDK7
2
(equivalent to 100 nM ≤ Kd < 1µM)
CSNK1E, TPTEP2-CSNK1E
10
(confirmed non-binding)
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Batch Information for HMSL10286-102-1:

HMS LINCS Batch ID: 10286-102-1
Provider: Selleck Chemicals
Provider Batch ID:
Salt: 102
Molecular Formula: C22H33ClN6
Molecular Weight: 416.99
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2013-03-04
Most Recent Update: 2016-12-02

HMS QC Testing Events for HMSL10286-102-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10286-102-1_NMR.pdf,
HMSL10286-102-1_LCMS.pdf