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BDBM50479043 CHEBI:80897::RHAMNOCITRIN::Rhamnocitrin

SMILES: COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O

InChI Key: InChIKey=MQSZRBPYXNEFHF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50479043   
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
Neuraminidase


(Influenza A virus)
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.15E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.39E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A using kynuramine as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.99E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+10n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Eur J Med Chem 45: 1724-30 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.005
BindingDB Entry DOI: 10.7270/Q27P926M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50479043
PNG
(CHEBI:80897 | RHAMNOCITRIN | Rhamnocitrin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay


Bioorg Med Chem 16: 7141-7 (2008)


Article DOI: 10.1016/j.bmc.2008.06.049
BindingDB Entry DOI: 10.7270/Q2R2145D
More data for this
Ligand-Target Pair