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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 = 'BDBM50043858'   
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))		BDBM50043858
PNG
((E)-6-[4-(2-Benzenesulfonylamino-ethyl)-phenyl]-6-...)
Show SMILES OC(=O)CCC\C=C(/c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C25H26N2O4S/c28-25(29)11-5-4-10-24(22-7-6-17-26-19-22)21-14-12-20(13-15-21)16-18-27-32(30,31)23-8-2-1-3-9-23/h1-3,6-10,12-15,17,19,27H,4-5,11,16,18H2,(H,28,29)/b24-10+
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