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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 = 'BDBM50019355'   
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))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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Article
PubMed
162n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand


J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(MOUSE)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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KEGG

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



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)


Article DOI: 10.1111/j.1476-5381.1983.tb10541.x
BindingDB Entry DOI: 10.7270/Q2SX6BPF
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 282n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)


J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 447n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3H]SQ-29,548 (5 nM) binding to TP receptors in human platelets


J Med Chem 40: 85-91 (1997)


Article DOI: 10.1021/jm950896w
BindingDB Entry DOI: 10.7270/Q2DZ09KB
More data for this
Ligand-Target Pair