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BDBM22360 2-(acetyloxy)benzoate::2-(acetyloxy)benzoic acid::Acetylsalicylic acid::Aspirin::Endosprin::Polopirin::Zorprin::acetylsalicylate::cid_2244

SMILES: CC(=O)Oc1ccccc1C(O)=O

InChI Key: InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N

Data: 11 KI  86 IC50  8 EC50

PDB links: 6 PDB IDs match 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 105 hits for monomerid = 22360   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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Article
PubMed
n/an/a 5.60E+5n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX1 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 1.41E+6n/an/an/an/an/an/a



Kinki University

Curated by ChEMBL


Assay Description
Inhibition of COX2 after 5 mins by spectrophotometric analysis


Bioorg Med Chem Lett 22: 2494-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.002
BindingDB Entry DOI: 10.7270/Q28W3F9M
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of COX1


Eur J Med Chem 45: 4058-64 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.065
BindingDB Entry DOI: 10.7270/Q2GQ6ZQG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB
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KEGG

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KEGG
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Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of COX2


Eur J Med Chem 45: 4058-64 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.065
BindingDB Entry DOI: 10.7270/Q2GQ6ZQG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cyclooxygenase of human platelets was determined


J Med Chem 30: 726-9 (1987)


Article DOI: 10.1021/jm00387a026
More data for this
Ligand-Target Pair
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