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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 267.3
BDBM50026009
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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


(Homo sapiens (Human))
BDBM50026009
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzenesulfonamide | CH...)
Show SMILES NS(=O)(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C11H13N3O3S/c12-18(15,16)11-3-1-10(2-4-11)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H2,12,15,16)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane A2 synthetase


J Med Chem 28: 1427-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DJ5DN7
More data for this
Ligand-Target Pair