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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 = 'BDBM50391309'   
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)
BDBM50391309
PNG
(CHEMBL159517 | GR-83783)
Show SMILES CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C32H44N2O4/c1-2-10-26-18-19-33-23-28(26)27-14-12-25(13-15-27)24-38-30-17-16-29(34-20-7-3-4-8-21-34)32(30)37-22-9-5-6-11-31(35)36/h5,9,12-15,18-19,23,29-30,32H,2-4,6-8,10-11,16-17,20-22,24H2,1H3,(H,35,36)/b9-5-/t29-,30+,32+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 31.6n/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