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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 = 'BDBM50391320'   
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))		BDBM50391320
PNG
(CHEMBL159775)
Show SMILES OC(=O)CO\N=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1
Show InChI InChI=1S/C22H20IN3O5S/c23-19-6-8-20(9-7-19)32(29,30)25-12-10-16-3-1-4-17(13-16)22(26-31-15-21(27)28)18-5-2-11-24-14-18/h1-9,11,13-14,25H,10,12,15H2,(H,27,28)/b26-22+
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PC cid
PC sid
UniChem

Similars
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood

Bioorg Med Chem Lett 1: 699-704 (1991)


Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM
More data for this
Ligand-Target Pair