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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 245.2
BDBM50026001

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))
BDBM50026001
PNG
(2-[4-(2-Imidazol-1-yl-ethoxy)-phenyl]-acetamide | ...)
Show SMILES NC(=O)Cc1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15N3O2/c14-13(17)9-11-1-3-12(4-2-11)18-8-7-16-6-5-15-10-16/h1-6,10H,7-9H2,(H2,14,17)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+3n/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