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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 = 'BDBM50110453'   
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))		BDBM50110453
PNG
(2-(1,4-oxazinan-4-yl)ethyl 5-{[1-{3-[6-(2-chloroph...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCCN4CCOCC4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C43H47ClN8O4S/c1-29-42-48-47-30(2)52(42)43-39(41(46-29)34-12-3-4-13-36(34)44)35-15-17-51(28-37(35)57-43)27-31-9-7-10-32(25-31)40(33-11-8-16-45-26-33)49-56-21-6-5-14-38(53)55-24-20-50-18-22-54-23-19-50/h3-4,7-13,16,25-26,29H,5-6,14-15,17-24,27-28H2,1-2H3/b49-40+
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 151n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]

Bioorg Med Chem Lett 12: 771-4 (2002)


BindingDB Entry DOI: 10.7270/Q23X85ZH
More data for this
Ligand-Target Pair