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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3
BDBM50024113

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024113
PNG
(2-(5-Imidazol-1-yl-pentyl)-isoindole-1,3-dione; hy...)
Show SMILES O=C1N(CCCCCn2ccnc2)C(=O)c2ccccc12
Show InChI InChI=1S/C16H17N3O2/c20-15-13-6-2-3-7-14(13)16(21)19(15)10-5-1-4-9-18-11-8-17-12-18/h2-3,6-8,11-12H,1,4-5,9-10H2
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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of thromboxane synthetase


J Med Chem 29: 816-9 (1986)


BindingDB Entry DOI: 10.7270/Q2H70GCD
More data for this
Ligand-Target Pair