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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.5
BDBM50024695

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))
BDBM50024695
PNG
(6-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...)
Show SMILES CCOC(=O)C(C)(C)CCCCOC(COCc1ccc(OC)cc1)Cn1ccnc1
Show InChI InChI=1S/C24H36N2O5/c1-5-30-23(27)24(2,3)12-6-7-15-31-22(16-26-14-13-25-19-26)18-29-17-20-8-10-21(28-4)11-9-20/h8-11,13-14,19,22H,5-7,12,15-18H2,1-4H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in platelet rich plasma.


J Med Chem 30: 1812-8 (1987)


BindingDB Entry DOI: 10.7270/Q2ZP454K
More data for this
Ligand-Target Pair