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BDBM50213566 2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid::CHEMBL235786

SMILES: OC(=O)Cc1ccc2OCCOc2c1

InChI Key: InChIKey=BVRNERFWPQRVJB-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213566   
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


(Homo sapiens (human))
BDBM50213566
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...)
Show SMILES OC(=O)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)
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MMDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213566
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...)
Show SMILES OC(=O)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)
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PC sid
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Article
PubMed
n/an/a 2.18E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50213566
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...)
Show SMILES OC(=O)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood after 15 mins


Bioorg Med Chem 15: 4876-90 (2007)


Article DOI: 10.1016/j.bmc.2007.04.050
BindingDB Entry DOI: 10.7270/Q2VH5PN7
More data for this
Ligand-Target Pair