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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4
BDBM50026524

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))
BDBM50026524
PNG
(2-Benzyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)Cc1ccccc1
Show InChI InChI=1S/C25H25NO2/c27-25(28)22(18-20-10-3-1-4-11-20)14-7-8-16-24(21-12-5-2-6-13-21)23-15-9-17-26-19-23/h1-6,9-13,15-17,19,22H,7-8,14,18H2,(H,27,28)/b24-16+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 58n/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