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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50002750'   
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))
BDBM50002750
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-6,11-dih...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H21NO5S2/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-29-21)30-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
PDB

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PubMed
32n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3394-402 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002750
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-6,11-dih...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H21NO5S2/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-29-21)30-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
32n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand


J Med Chem 35: 3394-402 (1992)


BindingDB Entry DOI: 10.7270/Q2NS0SV5
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50002750
PNG
(11-(2-Benzenesulfonylamino-ethylsulfanyl)-6,11-dih...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H21NO5S2/c25-23(26)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-29-21)30-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
32n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at TXA2/PGH2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets


J Med Chem 35: 3402-13 (1992)


BindingDB Entry DOI: 10.7270/Q2J38RG1
More data for this
Ligand-Target Pair