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BDBM28431 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[2-(aminooxy)ethyl](methyl)amino}methyl)oxolane-3,4-diol::MAOEA, 5

SMILES: CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=PPIPUCUVJJZYEK-QYVSTXNMSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 28431   
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
S-adenosylmethionine decarboxylase 1


(Homo sapiens (human))
BDBM28431
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[2-(am...)
Show SMILES CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
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Article
PubMed
n/an/a 55n/an/an/an/a6.822



Cornell University



Assay Description
The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...


J Med Chem 52: 1388-407 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)