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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 = 'BDBM50109136'   
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))		BDBM50109136
PNG
(5-[1-Pyridin-3-yl-1-{4-[4-(2-pyridin-3-yl-thiazoli...)
Show SMILES CCOC(=O)CCCCO\N=C(/c1ccc(CN2CCN(CC2)C(=O)C2CSC(N2)c2cccnc2)cc1)c1cccnc1
Show InChI InChI=1S/C33H40N6O4S/c1-2-42-30(40)9-3-4-20-43-37-31(27-7-5-14-34-21-27)26-12-10-25(11-13-26)23-38-16-18-39(19-17-38)33(41)29-24-44-32(36-29)28-8-6-15-35-22-28/h5-8,10-15,21-22,29,32,36H,2-4,9,16-20,23-24H2,1H3/b37-31+
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 72n/an/an/an/an/an/a



Nikken Chemicals Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.

Bioorg Med Chem Lett 12: 341-4 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7P56
More data for this
Ligand-Target Pair