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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane-A synthase' and Ligand = 'BDBM50023003'   
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))
BDBM50023003
PNG
(4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-e...)
Show SMILES COc1ccc(COCC(Cn2ccnc2)OCc2ccc(cc2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C24H29N3O4/c1-26(2)24(28)21-8-4-20(5-9-21)16-31-23(14-27-13-12-25-18-27)17-30-15-19-6-10-22(29-3)11-7-19/h4-13,18,23H,14-17H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against intact human platelet TXA2 formation


J Med Chem 30: 1588-95 (1987)


BindingDB Entry DOI: 10.7270/Q20R9NDV
More data for this
Ligand-Target Pair