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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 = 'BDBM50026528'   
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))		BDBM50026528
PNG
(7-Phenyl-2-phenylsulfanyl-7-pyridin-3-yl-hept-6-en...)
Show SMILES OC(=O)C(CCC\C=C(/c1ccccc1)c1cccnc1)Sc1ccccc1
Show InChI InChI=1S/C24H23NO2S/c26-24(27)23(28-21-13-5-2-6-14-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-9-17-25-18-20/h1-6,9-15,17-18,23H,7-8,16H2,(H,26,27)/b22-15+
KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 33n/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