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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 = 'BDBM50037736'   
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


(Homo sapiens (Human))
BDBM50037736
PNG
(5-[1-Cyclohexyl-2-imidazol-1-yl-3-(4-methanesulfon...)
Show SMILES CS(=O)(=O)c1ccc(CC(\C(=N\OCCCCC(O)=O)C2CCCCC2)n2ccnc2)cc1
Show InChI InChI=1S/C24H33N3O5S/c1-33(30,31)21-12-10-19(11-13-21)17-22(27-15-14-25-18-27)24(20-7-3-2-4-8-20)26-32-16-6-5-9-23(28)29/h10-15,18,20,22H,2-9,16-17H2,1H3,(H,28,29)/b26-24+
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets


J Med Chem 37: 3588-604 (1994)


BindingDB Entry DOI: 10.7270/Q2C24VFD
More data for this
Ligand-Target Pair