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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 = 'BDBM50002752'   
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))
BDBM50002752
PNG
(11-[2-(Naphthalene-2-sulfonylamino)-ethylsulfanyl]...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C27H23NO5S2/c29-27(30)20-10-12-25-24(16-20)26(23-8-4-3-7-21(23)17-33-25)34-14-13-28-35(31,32)22-11-9-18-5-1-2-6-19(18)15-22/h1-12,15-16,26,28H,13-14,17H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
14n/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))
BDBM50002752
PNG
(11-[2-(Naphthalene-2-sulfonylamino)-ethylsulfanyl]...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C27H23NO5S2/c29-27(30)20-10-12-25-24(16-20)26(23-8-4-3-7-21(23)17-33-25)34-14-13-28-35(31,32)22-11-9-18-5-1-2-6-19(18)15-22/h1-12,15-16,26,28H,13-14,17H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
14n/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