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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 = 'BDBM50071145'   
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))		BDBM50071145
PNG
((Z)-7-{3-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(c1)-c1nc(co1)C(=O)NCCCCC1CCCCC1
Show InChI InChI=1S/C32H39N3O4/c36-30(37)18-6-2-5-17-28(27-16-10-19-33-22-27)25-14-9-15-26(21-25)32-35-29(23-39-32)31(38)34-20-8-7-13-24-11-3-1-4-12-24/h9-10,14-17,19,21-24H,1-8,11-13,18,20H2,(H,34,38)(H,36,37)/b28-17-
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 23n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2

Bioorg Med Chem Lett 8: 1943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DB8107
More data for this
Ligand-Target Pair