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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50188614'   
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))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 2.65n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.53n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 13.6n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50.0n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Activity at TPalpha (short isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50188614
PNG
(CHEMBL210964 | N-n-pentyl-N'-[2-(4-methylphenylami...)
Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 278n/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Inhibition of U46619-induced platelet aggregation


J Med Chem 49: 3701-9 (2006)


Article DOI: 10.1021/jm060108a
BindingDB Entry DOI: 10.7270/Q2X63MJT
More data for this
Ligand-Target Pair