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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 = 'BDBM50034760'   
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))
BDBM50034760
PNG
((E)-7-(4-{10-[(2S,4S,5R)-5-((Z)-5-Carboxy-pent-2-e...)
Show SMILES OC(=O)CCCC\C=C(/c1ccc(OCCCCCCCCCC[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2ccccc2O)cc1)c1cccnc1
Show InChI InChI=1S/C44H57NO8/c46-40-22-15-14-21-39(40)44-36(18-9-7-11-23-41(47)48)33-52-43(53-44)25-13-5-3-1-2-4-6-16-31-51-37-28-26-34(27-29-37)38(35-19-17-30-45-32-35)20-10-8-12-24-42(49)50/h7,9,14-15,17,19-22,26-30,32,36,43-44,46H,1-6,8,10-13,16,18,23-25,31,33H2,(H,47,48)(H,49,50)/b9-7-,38-20+/t36-,43+,44+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/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