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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 = 'BDBM50047275'   
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))
BDBM50047275
PNG
(3-{2-[3-(4-Methylcarbamoyl-oxazol-2-yl)-7-oxa-bicy...)
Show SMILES CNC(=O)c1coc(n1)C1C2CCC(O2)C1Cc1ccccc1CCC(O)=O |THB:7:9:14:11.12,16:15:14:11.12|
Show InChI InChI=1S/C21H24N2O5/c1-22-20(26)15-11-27-21(23-15)19-14(16-7-8-17(19)28-16)10-13-5-3-2-4-12(13)6-9-18(24)25/h2-5,11,14,16-17,19H,6-10H2,1H3,(H,22,26)(H,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 45n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand


J Med Chem 36: 1401-17 (1993)


BindingDB Entry DOI: 10.7270/Q2TX3DF9
More data for this
Ligand-Target Pair