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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 = 'BDBM50110444'   
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))		BDBM50110444
PNG
(CHEMBL351562 | benzyl 5-{[1-{3-[6-(2-chlorophenyl)...)
Show SMILES CC1N=C(c2c3CCN(Cc4cccc(c4)C(=N/OCCCCC(=O)OCc4ccccc4)\c4cccnc4)Cc3sc2-n2c(C)nnc12)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C44H42ClN7O3S/c1-29-43-49-48-30(2)52(43)44-40(42(47-29)35-17-6-7-18-37(35)45)36-20-22-51(27-38(36)56-44)26-32-14-10-15-33(24-32)41(34-16-11-21-46-25-34)50-55-23-9-8-19-39(53)54-28-31-12-4-3-5-13-31/h3-7,10-18,21,24-25,29H,8-9,19-20,22-23,26-28H2,1-2H3/b50-41+
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 465n/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