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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.3
BDBM50026495

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))
BDBM50026495
PNG
(7-(2-Fluoro-phenyl)-7-pyridin-3-yl-hept-6-enoic ac...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1ccccc1F
Show InChI InChI=1S/C18H18FNO2/c19-17-10-5-4-9-16(17)15(14-7-6-12-20-13-14)8-2-1-3-11-18(21)22/h4-10,12-13H,1-3,11H2,(H,21,22)/b15-8+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 70n/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