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Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'hamm' and Initial = 'he'   
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
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM175970
PNG
(US10047103, 3 | US9605024, Example 3 | US9688695, ...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3
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n/an/a 0.00400n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of activating peptide-induced receptor activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM175970
PNG
(US10047103, 3 | US9605024, Example 3 | US9688695, ...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3
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n/an/a 0.0230n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of gamma-thrombin-induced receptor activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199438
PNG
(CHEMBL3931873)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3O2S/c1-17-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of activating peptide-induced receptor activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199421
PNG
(CHEMBL3906197)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3OS/c1-19-11-17-18-6-9(16-10(18)20-11)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3
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n/an/a 11n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199421
PNG
(CHEMBL3906197)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3OS/c1-19-11-17-18-6-9(16-10(18)20-11)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199421
PNG
(CHEMBL3906197)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3OS/c1-19-11-17-18-6-9(16-10(18)20-11)7-2-4-8(5-3-7)12(13,14)15/h2-6H,1H3
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199420
PNG
(CHEMBL3933579)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cc(OC(F)(F)F)ccc2n1C
Show InChI InChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199420
PNG
(CHEMBL3933579)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cc(OC(F)(F)F)ccc2n1C
Show InChI InChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199420
PNG
(CHEMBL3933579)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cc(OC(F)(F)F)ccc2n1C
Show InChI InChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199420
PNG
(CHEMBL3933579)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cc(OC(F)(F)F)ccc2n1C
Show InChI InChI=1S/C15H11F3N4O2S/c1-21-11-4-3-9(24-15(16,17)18)5-8(11)6-12(21)10-7-22-13(19-10)25-14(20-22)23-2/h3-7H,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199416
PNG
(CHEMBL3936444)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c1-19-11-17-18-6-9(16-10(18)21-11)7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199416
PNG
(CHEMBL3936444)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c1-19-11-17-18-6-9(16-10(18)21-11)7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199416
PNG
(CHEMBL3936444)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c1-19-11-17-18-6-9(16-10(18)21-11)7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199440
PNG
(CHEMBL3909608)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3OS/c1-17-11-15-16-5-9(14-10(16)18-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199440
PNG
(CHEMBL3909608)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3OS/c1-17-11-15-16-5-9(14-10(16)18-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3
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n/an/a 29n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199425
PNG
(CHEMBL3950308)
Show SMILES COc1nn2cc(nc2s1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3OS/c1-19-11-17-18-6-9(16-10(18)20-11)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3
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n/an/a 36n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199425
PNG
(CHEMBL3950308)
Show SMILES COc1nn2cc(nc2s1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N3OS/c1-19-11-17-18-6-9(16-10(18)20-11)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3
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n/an/a 36n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199423
PNG
(CHEMBL3983476)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H8ClN3OS/c1-16-11-14-15-6-9(13-10(15)17-11)7-2-4-8(12)5-3-7/h2-6H,1H3
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n/an/a 40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199423
PNG
(CHEMBL3983476)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H8ClN3OS/c1-16-11-14-15-6-9(13-10(15)17-11)7-2-4-8(12)5-3-7/h2-6H,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199431
PNG
(CHEMBL3927486)
Show SMILES COc1nn2cc(nc2s1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H7F6N3OS/c1-23-11-21-22-5-9(20-10(22)24-11)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19/h2-5H,1H3
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n/an/a 52n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199431
PNG
(CHEMBL3927486)
Show SMILES COc1nn2cc(nc2s1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H7F6N3OS/c1-23-11-21-22-5-9(20-10(22)24-11)6-2-7(12(14,15)16)4-8(3-6)13(17,18)19/h2-5H,1H3
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n/an/a 52n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199442
PNG
(CHEMBL3922644)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(C)cc1
Show InChI InChI=1S/C12H11N3OS/c1-8-3-5-9(6-4-8)10-7-15-11(13-10)17-12(14-15)16-2/h3-7H,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199442
PNG
(CHEMBL3922644)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(C)cc1
Show InChI InChI=1S/C12H11N3OS/c1-8-3-5-9(6-4-8)10-7-15-11(13-10)17-12(14-15)16-2/h3-7H,1-2H3
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n/an/a 58n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199438
PNG
(CHEMBL3931873)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3O2S/c1-17-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
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n/an/a 59n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of gamma-thrombin-induced receptor activation


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024253
PNG
(CHEMBL3334887)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets after 10 mins by flow cytometric analysis


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024253
PNG
(CHEMBL3334887)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199433
PNG
(CHEMBL3902806)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C12H7F4N3OS/c1-20-11-18-19-5-9(17-10(19)21-11)6-2-3-8(13)7(4-6)12(14,15)16/h2-5H,1H3
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n/an/a 69n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199433
PNG
(CHEMBL3902806)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C12H7F4N3OS/c1-20-11-18-19-5-9(17-10(19)21-11)6-2-3-8(13)7(4-6)12(14,15)16/h2-5H,1H3
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n/an/a 69n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199428
PNG
(CHEMBL3890362)
Show SMILES COc1nn2cc(nc2s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H8ClN3OS/c1-16-11-14-15-6-9(13-10(15)17-11)7-3-2-4-8(12)5-7/h2-6H,1H3
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n/an/a 72n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199428
PNG
(CHEMBL3890362)
Show SMILES COc1nn2cc(nc2s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H8ClN3OS/c1-16-11-14-15-6-9(13-10(15)17-11)7-3-2-4-8(12)5-7/h2-6H,1H3
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n/an/a 73n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199418
PNG
(CHEMBL3973767)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C12H9F2N3O2S/c1-18-12-16-17-6-9(15-11(17)20-12)7-2-4-8(5-3-7)19-10(13)14/h2-6,10H,1H3
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n/an/a 83n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199418
PNG
(CHEMBL3973767)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C12H9F2N3O2S/c1-18-12-16-17-6-9(15-11(17)20-12)7-2-4-8(5-3-7)19-10(13)14/h2-6,10H,1H3
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n/an/a 83n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50536645
PNG
(CHEMBL4528799)
Show SMILES CSc1ncc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C22H17ClF3N3O2S/c1-32-21-27-9-14(10-28-21)20-16-8-15(31-22(24,25)26)6-7-18(16)29(19(20)12-30)11-13-4-2-3-5-17(13)23/h2-10,30H,11-12H2,1H3
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n/an/a<100n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes incubated for 15 mins using dextromethorphan substrate in presence of NADPH by LC-MS/MS method


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50536646
PNG
(CHEMBL4557930)
Show SMILES COc1ccc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C23H18ClF3N2O3/c1-31-21-9-6-14(11-28-21)22-17-10-16(32-23(25,26)27)7-8-19(17)29(20(22)13-30)12-15-4-2-3-5-18(15)24/h2-11,30H,12-13H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes incubated for 15 mins using dextromethorphan substrate in presence of NADPH by LC-MS/MS method


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024254
PNG
(CHEMBL125021)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity PAR4 (unknown origin)


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024254
PNG
(CHEMBL125021)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50536642
PNG
(CHEMBL4566669)
Show SMILES COc1nn2cc(nc2s1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-32-21-28-30-10-16(27-20(30)34-21)19-14-8-13(33-22(24,25)26)6-7-17(14)29(18(19)11-31)9-12-4-2-3-5-15(12)23/h2-8,10,31H,9,11H2,1H3
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n/an/a 132n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity against PAR4 activating peptide domain in in human platelets assessed as inhibition of P-selectin activation


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024252
PNG
(CHEMBL1609104)
Show SMILES Cn1c(CO)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199437
PNG
(CHEMBL3912611)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(F)cc1F
Show InChI InChI=1S/C11H7F2N3OS/c1-17-11-15-16-5-9(14-10(16)18-11)7-3-2-6(12)4-8(7)13/h2-5H,1H3
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n/an/a 174n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199437
PNG
(CHEMBL3912611)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(F)cc1F
Show InChI InChI=1S/C11H7F2N3OS/c1-17-11-15-16-5-9(14-10(16)18-11)7-3-2-6(12)4-8(7)13/h2-5H,1H3
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n/an/a 175n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50536642
PNG
(CHEMBL4566669)
Show SMILES COc1nn2cc(nc2s1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-32-21-28-30-10-16(27-20(30)34-21)19-14-8-13(33-22(24,25)26)6-7-17(14)29(18(19)11-31)9-12-4-2-3-5-15(12)23/h2-8,10,31H,9,11H2,1H3
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n/an/a 178n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity against PAR4 activating peptide domain in human platelets assessed as inhibition of alpha2bbeta3 activation level by PAC1 binding...


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50536642
PNG
(CHEMBL4566669)
Show SMILES COc1nn2cc(nc2s1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-32-21-28-30-10-16(27-20(30)34-21)19-14-8-13(33-22(24,25)26)6-7-17(14)29(18(19)11-31)9-12-4-2-3-5-15(12)23/h2-8,10,31H,9,11H2,1H3
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Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity against PAR4 activating peptide domain in human platelets assessed as inhibition of alpha2bbeta3 activation level by PAC1 binding...


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50536657
PNG
(CHEMBL4586027)
Show SMILES CSc1ncc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C22H17ClF3N3O2S/c1-32-21-27-9-14(10-28-21)20-16-7-6-15(31-22(24,25)26)8-18(16)29(19(20)12-30)11-13-4-2-3-5-17(13)23/h2-10,30H,11-12H2,1H3
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Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity against PAR4 activating peptide domain in human platelets assessed as inhibition of alpha2bbeta3 activation level by PAC1 binding...


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199427
PNG
(CHEMBL3937549)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O3S/c1-18-11-13-14-6-9(12-10(14)19-11)7-2-4-8(5-3-7)15(16)17/h2-6H,1H3
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n/an/a 207n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199427
PNG
(CHEMBL3937549)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O3S/c1-18-11-13-14-6-9(12-10(14)19-11)7-2-4-8(5-3-7)15(16)17/h2-6H,1H3
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n/an/a 209n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins fo...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50536657
PNG
(CHEMBL4586027)
Show SMILES CSc1ncc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C22H17ClF3N3O2S/c1-32-21-27-9-14(10-28-21)20-16-7-6-15(31-22(24,25)26)8-18(16)29(19(20)12-30)11-13-4-2-3-5-17(13)23/h2-10,30H,11-12H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Northwest Agriculture & Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity against PAR4 activating peptide domain in human platelets assessed as inhibition of alpha2bbeta3 activation level by PAC1 binding...


J Med Chem 59: 7690-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00928
BindingDB Entry DOI: 10.7270/Q29C71XC
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199416
PNG
(CHEMBL3936444)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c1-19-11-17-18-6-9(16-10(18)21-11)7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of gamma-thrombin-induced PAC1 binding response preincubated for 20 mins follow...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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KEGG

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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX-2 (unknown origin) assessed as reduction in PGH2 formation using arachidonic acid as substrate preincubated for 5 mins followed by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127743
BindingDB Entry DOI: 10.7270/Q23B63RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199416
PNG
(CHEMBL3936444)
Show SMILES COc1nn2cc(nc2s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C12H8F3N3O2S/c1-19-11-17-18-6-9(16-10(18)21-11)7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelets assessed as inhibition of gamma-thrombin-induced PAC1 binding response preincubated for 20 mins follow...


Bioorg Med Chem Lett 26: 5481-5486 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024255
PNG
(CHEMBL3334944)
Show SMILES CCCNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O
Show InChI InChI=1S/C19H21N3O2/c1-3-11-20-13-18-19(14-7-5-4-6-8-14)16-12-15(22(23)24)9-10-17(16)21(18)2/h4-10,12,20H,3,11,13H2,1-2H3
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Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
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