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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50002757'   
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))
BDBM50002757
PNG
(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity at Thromboxane A2 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))
BDBM50002757
PNG
(11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5.70n/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