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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 = 'BDBM50391305'   
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)
BDBM50391305
PNG
(CHEMBL433884)
Show SMILES OC(=O)CC\C=C/CO[C@H]1[C@@H](CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C29H38N2O4/c32-28(33)10-4-3-7-20-34-29-26(31-18-5-1-2-6-19-31)15-16-27(29)35-22-23-11-13-24(14-12-23)25-9-8-17-30-21-25/h3,7-9,11-14,17,21,26-27,29H,1-2,4-6,10,15-16,18-20,22H2,(H,32,33)/b7-3-/t26-,27+,29+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 39.8n/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