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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3
BDBM50047487

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))
BDBM50047487
PNG
(11-(2-Pyridin-3-yl-ethylidene)-6,11-dihydro-dibenz...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3\C(=C\Cc3cccnc3)c2c1
Show InChI InChI=1S/C22H17NO3/c24-22(25)16-8-10-21-20(12-16)19(9-7-15-4-3-11-23-13-15)18-6-2-1-5-17(18)14-26-21/h1-6,8-13H,7,14H2,(H,24,25)/b19-9-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Activity against TXA2 synthase in bovine platelet microsome


J Med Chem 36: 1613-8 (1993)


BindingDB Entry DOI: 10.7270/Q2639NTJ
More data for this
Ligand-Target Pair