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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 = 'BDBM50110456'   
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))		BDBM50110456
PNG
(5-([3-{1-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10...)
Show SMILES CCOC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCCC(=O)N2CCc3c(C2)sc-2c3C(=NC(C)c3nnc(C)n-23)c2ccccc2Cl)c1 |c:40|
Show InChI InChI=1S/C42H44ClN7O4S/c1-4-53-37(52)19-7-8-23-54-48-39(31-15-11-21-44-25-31)30-14-9-12-29(24-30)13-10-18-36(51)49-22-20-33-35(26-49)55-42-38(33)40(32-16-5-6-17-34(32)43)45-27(2)41-47-46-28(3)50(41)42/h5-6,9,11-12,14-17,21,24-25,27H,4,7-8,10,13,18-20,22-23,26H2,1-3H3/b48-39+
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 41n/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