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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 = 'BDBM50043850'   
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))		BDBM50043850
PNG
((E)-6-{4-[2-(Butane-1-sulfonylamino)-ethyl]-phenyl...)
Show SMILES CCCCS(=O)(=O)NCCc1ccc(cc1)C(=C/CCCC(O)=O)\c1cccnc1
Show InChI InChI=1S/C23H30N2O4S/c1-2-3-17-30(28,29)25-16-14-19-10-12-20(13-11-19)22(8-4-5-9-23(26)27)21-7-6-15-24-18-21/h6-8,10-13,15,18,25H,2-5,9,14,16-17H2,1H3,(H,26,27)/b22-8+
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.

J Med Chem 37: 26-39 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44T4
More data for this
Ligand-Target Pair