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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50391311'   
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 A2 receptor


(RAT)
BDBM50391311
PNG
(CHEMBL352040)
Show SMILES CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C31H42N2O4/c1-2-25-17-18-32-22-27(25)26-13-11-24(12-14-26)23-37-29-16-15-28(33-19-7-3-4-8-20-33)31(29)36-21-9-5-6-10-30(34)35/h5,9,11-14,17-18,22,28-29,31H,2-4,6-8,10,15-16,19-21,23H2,1H3,(H,34,35)/b9-5-/t28-,29+,31+/m0/s1
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PC cid
PC sid
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Similars

Article
n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic strip


Bioorg Med Chem Lett 1: 695-698 (1991)

Checked by Author
Article DOI: 10.1016/S0960-894X(01)81050-7
BindingDB Entry DOI: 10.7270/Q2125TT6
More data for this
Ligand-Target Pair