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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
BDBM50026519

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))
BDBM50026519
PNG
(6-Phenyl-6-pyridin-3-yl-hex-5-enoic acid | CHEMBL1...)
Show SMILES OC(=O)CCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C17H17NO2/c19-17(20)11-5-4-10-16(14-7-2-1-3-8-14)15-9-6-12-18-13-15/h1-3,6-10,12-13H,4-5,11H2,(H,19,20)/b16-10+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes


J Med Chem 28: 287-94 (1985)


BindingDB Entry DOI: 10.7270/Q2P26ZPB
More data for this
Ligand-Target Pair