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SMILES: O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1

InChI Key: InChIKey=OUPZKGBUJRBPGC-UHFFFAOYSA-N

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 = 442751   
Target/Host
(Institution)
LigandTarget/Host
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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM442751
PNG
(Triglycidyl isocyanurate)
Show SMILES O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1
Show InChI InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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MCE
PC cid
PC sid
PDB
UniChem
Article
n/an/an/an/a 3.00E+4n/an/an/an/a



Center for Free-Electron Laser Science



Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...


bioRxiv 2020: (2020)


Article DOI: 10.1101/2020.11.12.378422
More data for this
Ligand-Target Pair