Bohemine - Small Molecule (ID:10461-101)
HMS LINCS ID: | 10461-101 |
Name: | Bohemine |
Alternative Names: | |
LINCS ID: | |
PubChem CID: | 2422 |
ChEBI ID: | |
ChEMBL ID: | |
Molecular Mass: | 340.20 |
InChi: | InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23) |
InChi Key: | OPQGFIAVPSXOBO-UHFFFAOYSA-N |
SMILES: | CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCO |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
CDK2, CDK9 | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | CCNB1, CCNB2, CCNB3, CDK1 |
10 (confirmed non-binding) |
Batch Information for HMSL10461-101-1:
HMS LINCS Batch ID: | 10461-101-1 |
Provider: | EMD Millipore |
Provider Batch ID: | 2615618 |
Salt: | 101 |
Molecular Formula: | C18H24N6O |
Molecular Weight: | |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2015-08-27 |
Most Recent Update: | 2016-08-11 |
HMS QC Testing Events for HMSL10461-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
08/31/2015 | PASS | HMSL10461-101-1_LCMS.pdf |
(equivalent to 100 nM ≤ Kd < 1µM)