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PubMed code 9016331

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50422206
PNG
(CHEMBL170451)
Show SMILES Oc1cc2CCNC(Cc3ccc(O)c(c3)[N+]([O-])=O)c2cc1O
Show InChI InChI=1S/C16H16N2O5/c19-14-2-1-9(6-13(14)18(22)23)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17,19-21H,3-5H2
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n/an/a 871n/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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50422210
PNG
(CHEMBL367394)
Show SMILES Oc1cc2CCNC(Cc3ccc(cc3)[N+]([O-])=O)c2cc1O
Show InChI InChI=1S/C16H16N2O4/c19-15-8-11-5-6-17-14(13(11)9-16(15)20)7-10-1-3-12(4-2-10)18(21)22/h1-4,8-9,14,17,19-20H,5-7H2
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n/an/a 2.51E+4n/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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50422208
PNG
(CHEMBL172163)
Show SMILES COc1cc(CC2N(CCc3ccccc3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C27H31NO5/c1-31-25-14-19(15-26(32-2)27(25)33-3)13-22-21-17-24(30)23(29)16-20(21)10-12-28(22)11-9-18-7-5-4-6-8-18/h4-8,14-17,22,29-30H,9-13H2,1-3H3
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n/an/a 4.17E+4n/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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50422209
PNG
(CHEMBL173039)
Show SMILES Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
Show InChI InChI=1S/C16H18N2O2/c17-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-18-14/h1-4,8-9,14,18-20H,5-7,17H2
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PubMed
n/an/a 8.91E+4n/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
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50422207
PNG
(CHEMBL172042)
Show SMILES COc1cc(cc(OC)c1OC)N=C1NCCc2cc(O)c(O)cc12 |w:12.12|
Show InChI InChI=1S/C18H20N2O5/c1-23-15-7-11(8-16(24-2)17(15)25-3)20-18-12-9-14(22)13(21)6-10(12)4-5-19-18/h6-9,21-22H,4-5H2,1-3H3,(H,19,20)
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n/an/a 2.75E+5n/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
* indicates data uncertainty>20%