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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 = 'BDBM50110442'   
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))		BDBM50110442
PNG
(1N-propyl-5-{[1-{3-[6-(2-chlorophenyl)-1,4-dimethy...)
Show SMILES CCCNC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CN2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:37|
Show InChI InChI=1S/C40H43ClN8O2S/c1-4-18-43-35(50)16-7-8-21-51-47-37(30-13-10-19-42-23-30)29-12-9-11-28(22-29)24-48-20-17-32-34(25-48)52-40-36(32)38(31-14-5-6-15-33(31)41)44-26(2)39-46-45-27(3)49(39)40/h5-6,9-15,19,22-23,26H,4,7-8,16-18,20-21,24-25H2,1-3H3,(H,43,50)/b47-37+
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 540n/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