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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 = 'BDBM50034756'   
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))		BDBM50034756
PNG
((E)-7-{6-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-enyl)...)
Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1ccc2cc(ccc2c1)[C@H]1OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccccc1O
Show InChI InChI=1S/C38H39NO7/c40-34-14-8-7-13-33(34)37-31(10-3-1-5-15-35(41)42)25-45-38(46-37)29-20-18-26-22-28(19-17-27(26)23-29)32(30-11-9-21-39-24-30)12-4-2-6-16-36(43)44/h1,3,7-9,11-14,17-24,31,37-38,40H,2,4-6,10,15-16,25H2,(H,41,42)(H,43,44)/b3-1-,32-12+/t31-,37+,38+/m1/s1
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human microsomal thromboxane synthase.

J Med Chem 38: 1608-28 (1995)


BindingDB Entry DOI: 10.7270/Q2319TWW
More data for this
Ligand-Target Pair