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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50353637'   
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))
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at human prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(MOUSE)
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol mono...


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.14E+4n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from human prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(MOUSE)
BDBM50353637
PNG
(CHEMBL1829803)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(CC2C(=O)CCC2=O)c1
Show InChI InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,18,22H,8-11,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 6969-83 (2011)


Article DOI: 10.1021/jm200980u
BindingDB Entry DOI: 10.7270/Q2H995KG
More data for this
Ligand-Target Pair