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BDBM34068 NSC 69432 (MGBG)

SMILES: [#6]-[#6](-[#6]=[#7]\[#7]=[#6](/[#7])-[#7])=[#7]-[#7]-[#6](-[#7])=[#7]

InChI Key: InChIKey=MXWHMTNPTTVWDM-NXOFHUPFSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 34068   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Checkpoint Kinase (Chk2)


(Homo sapiens (Human))
BDBM34068
PNG
(NSC 69432 (MGBG))
Show SMILES [#6]-[#6](-[#6]=[#7]\[#7]=[#6](/[#7])-[#7])=[#7]-[#7]-[#6](-[#7])=[#7] |w:8.8,2.1|
Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>2.00E+4n/an/an/an/a7.223



NIH



Assay Description
The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...


Citation and Details
More data for this
Ligand-Target Pair