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BDBM50297257 3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl)-benzonitrile::CHEMBL551529

SMILES: Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1

InChI Key: InChIKey=HUDLJTDCXGYOKM-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50297257   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297257
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-...)
Show SMILES Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297257
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-...)
Show SMILES Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.29E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair