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BDBM50491983 CHEBI:65918::FUCODIPHLOROETHOL G::Fucodiphloroethol G

SMILES: Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1

InChI Key: InChIKey=DUSGAYNDQIKXHD-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50491983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50491983
PNG
(CHEBI:65918 | FUCODIPHLOROETHOL G | Fucodiphloroet...)
Show SMILES Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1
Show InChI InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
6.35E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50491983
PNG
(CHEBI:65918 | FUCODIPHLOROETHOL G | Fucodiphloroet...)
Show SMILES Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1
Show InChI InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.25E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) u...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50491983
PNG
(CHEBI:65918 | FUCODIPHLOROETHOL G | Fucodiphloroet...)
Show SMILES Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1
Show InChI InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.77E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells using SAVLQSGFRK as substrate af...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair