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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'fraiz' and Initial = 'n'   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177398
PNG
((E)-5-(3-oxo-3-phenylprop-1-enyl)-2-phenylpyridazi...)
Show SMILES O=C(\C=C\c1cnn(-c2ccccc2)c(=O)c1)c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c22-18(16-7-3-1-4-8-16)12-11-15-13-19(23)21(20-14-15)17-9-5-2-6-10-17/h1-14H/b12-11+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177388
PNG
((E)-2-benzyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazi...)
Show SMILES O=C(\C=C\c1cnn(Cc2ccccc2)c(=O)c1)c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c23-19(18-9-5-2-6-10-18)12-11-17-13-20(24)22(21-14-17)15-16-7-3-1-4-8-16/h1-14H,15H2/b12-11+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176526
PNG
(6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H
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n/an/a 1.06E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177396
PNG
((E)-4-chloro-2-methyl-5-(3-oxo-3-phenylprop-1-enyl...)
Show SMILES Cn1ncc(\C=C\C(=O)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C14H11ClN2O2/c1-17-14(19)13(15)11(9-16-17)7-8-12(18)10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
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n/an/a 1.44E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177391
PNG
((E)-2-methyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazi...)
Show SMILES Cn1ncc(\C=C\C(=O)c2ccccc2)cc1=O
Show InChI InChI=1S/C14H12N2O2/c1-16-14(18)9-11(10-15-16)7-8-13(17)12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
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n/an/a 1.57E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177390
PNG
(2-methyl-5-(3-oxo-3-phenylprop-1-enyl)-4-phenylpyr...)
Show SMILES Cn1ncc(\C=C\C(=O)c2ccccc2)c(-c2ccccc2)c1=O
Show InChI InChI=1S/C20H16N2O2/c1-22-20(24)19(16-10-6-3-7-11-16)17(14-21-22)12-13-18(23)15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
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n/an/a 1.89E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177389
PNG
((E)-5-(3-oxo-3-phenylprop-1-enyl)pyridazin-3(2H)-o...)
Show SMILES O=C(C=Cc1cn[nH]c(=O)c1)c1ccccc1 |w:3.3|
Show InChI InChI=1S/C13H10N2O2/c16-12(11-4-2-1-3-5-11)7-6-10-8-13(17)15-14-9-10/h1-9H,(H,15,17)
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n/an/a 1.97E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176523
PNG
(6-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H16O5/c1-20-13-4-5-17-12(8-13)9-16(18(19)23-17)11-6-14(21-2)10-15(7-11)22-3/h4-10H,1-3H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50227827
PNG
((E)-5-(3-oxo-3-phenylprop-1-enyl)-6-phenylpyridazi...)
Show SMILES O=C(C=Cc1cc(=O)[nH]nc1-c1ccccc1)c1ccccc1 |w:3.3|
Show InChI InChI=1S/C19H14N2O2/c22-17(14-7-3-1-4-8-14)12-11-16-13-18(23)20-21-19(16)15-9-5-2-6-10-15/h1-13H,(H,20,23)
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n/an/a 2.59E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176526
PNG
(6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H
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n/an/a 3.01E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177397
PNG
((Z)-4-chloro-2-methyl-5-(3-oxo-3-phenylprop-1-enyl...)
Show SMILES Cn1ncc(\C=C/C(=O)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C14H11ClN2O2/c1-17-14(19)13(15)11(9-16-17)7-8-12(18)10-5-3-2-4-6-10/h2-9H,1H3/b8-7-
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n/an/a 3.13E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177400
PNG
(5-cinnamoyl-6-phenylpyridazin-3(2H)-one | CHEMBL20...)
Show SMILES O=C(C=Cc1ccccc1)c1cc(=O)[nH]nc1-c1ccccc1 |w:2.1|
Show InChI InChI=1S/C19H14N2O2/c22-17(12-11-14-7-3-1-4-8-14)16-13-18(23)20-21-19(16)15-9-5-2-6-10-15/h1-13H,(H,20,23)
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n/an/a 3.55E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177394
PNG
(5-cinnamoyl-2-methyl-6-phenylpyridazin-3(2H)-one |...)
Show SMILES Cn1nc(-c2ccccc2)c(cc1=O)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-22-19(24)14-17(20(21-22)16-10-6-3-7-11-16)18(23)13-12-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
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n/an/a 3.85E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176525
PNG
(7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H
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n/an/a 3.89E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176528
PNG
(3-(3,5-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C17H14O5/c1-20-13-5-11(6-14(9-13)21-2)15-7-10-3-4-12(18)8-16(10)22-17(15)19/h3-9,18H,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176523
PNG
(6-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H16O5/c1-20-13-4-5-17-12(8-13)9-16(18(19)23-17)11-6-14(21-2)10-15(7-11)22-3/h4-10H,1-3H3
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n/an/a 4.27E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177399
PNG
(5-cinnamoyl-2-(methoxymethyl)-6-phenylpyridazin-3(...)
Show SMILES COCn1nc(-c2ccccc2)c(cc1=O)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-26-15-23-20(25)14-18(21(22-23)17-10-6-3-7-11-17)19(24)13-12-16-8-4-2-5-9-16/h2-14H,15H2,1H3/b13-12+
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n/an/a 4.30E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177393
PNG
(4-ethoxy-2-methyl-5-(3-oxo-3-phenylprop-1-enyl)pyr...)
Show SMILES CCOc1c(\C=C\C(=O)c2ccccc2)cnn(C)c1=O
Show InChI InChI=1S/C16H16N2O3/c1-3-21-15-13(11-17-18(2)16(15)20)9-10-14(19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+
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n/an/a 4.85E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176522
PNG
(7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
Show InChI InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3
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n/an/a 5.25E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176525
PNG
(7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H
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n/an/a 6.23E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176527
PNG
(6,8-dihydroxy-3-(3',5'-dihydroxyphenyl)coumarin | ...)
Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O
Show InChI InChI=1S/C15H10O6/c16-9-1-7(2-10(17)5-9)12-4-8-3-11(18)6-13(19)14(8)21-15(12)20/h1-6,16-19H
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n/an/a 9.55E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176524
PNG
(6,8-dimethoxy-3-(3',5'-dimethoxyphenyl)coumarin | ...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O
Show InChI InChI=1S/C19H18O6/c1-21-13-5-11(6-14(9-13)22-2)16-8-12-7-15(23-3)10-17(24-4)18(12)25-19(16)20/h5-10H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176524
PNG
(6,8-dimethoxy-3-(3',5'-dimethoxyphenyl)coumarin | ...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O
Show InChI InChI=1S/C19H18O6/c1-21-13-5-11(6-14(9-13)22-2)16-8-12-7-15(23-3)10-17(24-4)18(12)25-19(16)20/h5-10H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176522
PNG
(7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
Show InChI InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176528
PNG
(3-(3,5-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C17H14O5/c1-20-13-5-11(6-14(9-13)21-2)15-7-10-3-4-12(18)8-16(10)22-17(15)19/h3-9,18H,1-2H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177392
PNG
((E)-2-(methoxymethyl)-5-(3-oxo-3-phenylprop-1-enyl...)
Show SMILES COCn1nc(c(\C=C\C(=O)c2ccccc2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-26-15-23-20(25)14-18(21(22-23)17-10-6-3-7-11-17)12-13-19(24)16-8-4-2-5-9-16/h2-14H,15H2,1H3/b13-12+
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n/an/a>1.50E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177401
PNG
((E)-2-methyl-5-(3-oxo-3-phenylprop-1-enyl)-6-pheny...)
Show SMILES Cn1nc(c(\C=C\C(=O)c2ccccc2)cc1=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-22-19(24)14-17(20(21-22)16-10-6-3-7-11-16)12-13-18(23)15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
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n/an/a>1.50E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 1.96E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50177395
PNG
(4-(dimethylamino)-2-methyl-5-(3-oxo-3-phenylprop-1...)
Show SMILES CN(C)c1c(\C=C\C(=O)c2ccccc2)cnn(C)c1=O
Show InChI InChI=1S/C16H17N3O2/c1-18(2)15-13(11-17-19(3)16(15)21)9-10-14(20)12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+
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n/an/a 2.21E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50176527
PNG
(6,8-dihydroxy-3-(3',5'-dihydroxyphenyl)coumarin | ...)
Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O
Show InChI InChI=1S/C15H10O6/c16-9-1-7(2-10(17)5-9)12-4-8-3-11(18)6-13(19)14(8)21-15(12)20/h1-6,16-19H
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n/an/a 2.85E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation in human


Bioorg Med Chem Lett 16: 257-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.013
BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50026604
PNG
(1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)py...)
Show SMILES Oc1c(CCS(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,26H,16-17H2
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n/an/a 5.09E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced platelet aggregation


Bioorg Med Chem Lett 16: 1080-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.073
BindingDB Entry DOI: 10.7270/Q2F76C37
More data for this
Ligand-Target Pair