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Compile Data Set for Download or QSAR

Found 1533 hits with Last Name = 'miller' and Initial = 'mm'   
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))
BDBM286492
PNG
(2-Methoxy-6-(6-methoxy-4-((6-(4-methoxytetrahydro-...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)C3(CCOCC3)OC)cc(OC)cc2o1
Show InChI InChI=1S/C26H26N4O6S/c1-31-17-11-20(35-15-16-5-4-6-23(27-16)26(33-3)7-9-34-10-8-26)18-13-22(36-21(18)12-17)19-14-30-24(28-19)37-25(29-30)32-2/h4-6,11-14H,7-10,15H2,1-3H3
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n/an/a 0.230n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286477
PNG
(4-(6-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C29H25N5O5S/c1-33(2)27(35)18-10-8-17(9-11-18)22-7-5-6-19(30-22)16-38-24-12-20(36-3)13-25-21(24)14-26(39-25)23-15-34-28(31-23)40-29(32-34)37-4/h5-15H,16H2,1-4H3
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n/an/a 0.230n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286479
PNG
(US9518064, Example 98)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C28H24N6O5S/c1-33(2)26(35)17-7-5-16(6-8-17)25-29-10-9-18(30-25)15-38-22-11-19(36-3)12-23-20(22)13-24(39-23)21-14-34-27(31-21)40-28(32-34)37-4/h5-14H,15H2,1-4H3
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n/an/a 0.290n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286495
PNG
((S)-2-(1-Fluoroethyl)-6-(4-((6-(4-fluorotetrahydro...)
Show SMILES COc1cc(OCc2cccc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F |r|
Show InChI InChI=1S/C26H24F2N4O4S/c1-15(27)24-31-32-13-19(30-25(32)37-24)22-12-18-20(10-17(33-2)11-21(18)36-22)35-14-16-4-3-5-23(29-16)26(28)6-8-34-9-7-26/h3-5,10-13,15H,6-9,14H2,1-2H3/t15-/m0/s1
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n/an/a 0.310n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364891
PNG
(US9862730, Example 349)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(Cl)c4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H22ClN3O5S/c1-33-21-11-24(36-16-18-6-4-8-20(10-18)35-15-17-5-3-7-19(29)9-17)22-13-26(37-25(22)12-21)23-14-32-27(30-23)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3
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n/an/a 0.320n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286494
PNG
(6-(4-((6-(4-Fluorotetrahydro-2H-pyran-4-yl)pyridin...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)C3(F)CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C25H23FN4O5S/c1-31-16-10-19(34-14-15-4-3-5-22(27-15)25(26)6-8-33-9-7-25)17-12-21(35-20(17)11-16)18-13-30-23(28-18)36-24(29-30)32-2/h3-5,10-13H,6-9,14H2,1-2H3
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n/an/a 0.350n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286493
PNG
((S)-2-(1-Fluoroethyl)-6-(6-methoxy-4-((6-(4-methox...)
Show SMILES COc1cc(OCc2cccc(n2)C2(CCOCC2)OC)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F |r|
Show InChI InChI=1S/C27H27FN4O5S/c1-16(28)25-31-32-14-20(30-26(32)38-25)23-13-19-21(11-18(33-2)12-22(19)37-23)36-15-17-5-4-6-24(29-17)27(34-3)7-9-35-10-8-27/h4-6,11-14,16H,7-10,15H2,1-3H3/t16-/m0/s1
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n/an/a 0.360n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286478
PNG
(6-(4-((2-(2-fluoropyridin-4-yl)pyrimidin-4-yl)meth...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccnc(F)c3)cc(OC)cc2o1
Show InChI InChI=1S/C24H17FN6O4S/c1-32-15-8-18(34-12-14-4-6-27-22(28-14)13-3-5-26-21(25)7-13)16-10-20(35-19(16)9-15)17-11-31-23(29-17)36-24(30-31)33-2/h3-11H,12H2,1-2H3
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n/an/a 0.360n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286421
PNG
(US9518064, Example 37)
Show SMILES CCCOc1ncc(cn1)-c1cccc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)c1
Show InChI InChI=1S/C28H25N5O5S/c1-4-8-36-26-29-13-19(14-30-26)18-7-5-6-17(9-18)16-37-23-10-20(34-2)11-24-21(23)12-25(38-24)22-15-33-27(31-22)39-28(32-33)35-3/h5-7,9-15H,4,8,16H2,1-3H3
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n/an/a 0.360n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286420
PNG
(US9518064, Example 36)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(Cl)cn3)cc(OC)cc2o1
Show InChI InChI=1S/C26H19ClN4O4S/c1-32-18-9-22(34-14-15-4-3-5-16(8-15)20-7-6-17(27)12-28-20)19-11-24(35-23(19)10-18)21-13-31-25(29-21)36-26(30-31)33-2/h3-13H,14H2,1-2H3
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n/an/a 0.380n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286464
PNG
(6-(4-((3-Fluoro-5-(2-methoxypyrimidin-5-yl)benzyl)...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(F)cc(c3)-c3cnc(OC)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C26H20FN5O5S/c1-33-18-7-21(36-13-14-4-15(6-17(27)5-14)16-10-28-24(34-2)29-11-16)19-9-23(37-22(19)8-18)20-12-32-25(30-20)38-26(31-32)35-3/h4-12H,13H2,1-3H3
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n/an/a 0.390n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286491
PNG
((S)-4-(6-(((2-(2-(1-Fluoroethyl)imidazo[2,1-b][1,3...)
Show SMILES COc1cc(OCc2cccc(n2)C2(O)CCOCC2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F |r|
Show InChI InChI=1S/C26H25FN4O5S/c1-15(27)24-30-31-13-19(29-25(31)37-24)22-12-18-20(10-17(33-2)11-21(18)36-22)35-14-16-4-3-5-23(28-16)26(32)6-8-34-9-7-26/h3-5,10-13,15,32H,6-9,14H2,1-2H3/t15-/m0/s1
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n/an/a 0.410n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286490
PNG
(4-(6-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)C3(O)CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C25H24N4O6S/c1-31-16-10-19(34-14-15-4-3-5-22(26-15)25(30)6-8-33-9-7-25)17-12-21(35-20(17)11-16)18-13-29-23(27-18)36-24(28-29)32-2/h3-5,10-13,30H,6-9,14H2,1-2H3
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n/an/a 0.450n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286424
PNG
(US9518064, Example 40)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(OC)cn3)cc(OC)cc2o1
Show InChI InChI=1S/C27H22N4O5S/c1-32-18-7-8-21(28-13-18)17-6-4-5-16(9-17)15-35-23-10-19(33-2)11-24-20(23)12-25(36-24)22-14-31-26(29-22)37-27(30-31)34-3/h4-14H,15H2,1-3H3
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n/an/a 0.470n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286418
PNG
(US9518064, Example 34)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(OC)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C27H22N4O5S/c1-32-19-10-22(35-15-16-5-4-6-17(9-16)18-7-8-25(33-2)28-13-18)20-12-24(36-23(20)11-19)21-14-31-26(29-21)37-27(30-31)34-3/h4-14H,15H2,1-3H3
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n/an/a 0.480n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286419
PNG
(US9518064, Example 35)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(cn3)C#N)cc(OC)cc2o1
Show InChI InChI=1S/C27H19N5O4S/c1-33-19-9-23(35-15-16-4-3-5-18(8-16)21-7-6-17(12-28)13-29-21)20-11-25(36-24(20)10-19)22-14-32-26(30-22)37-27(31-32)34-2/h3-11,13-14H,15H2,1-2H3
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n/an/a 0.490n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286453
PNG
(US9518064, Example 71)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(OC)cc(c3)-c3cnc(OC)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C27H23N5O6S/c1-33-18-6-15(5-16(7-18)17-11-28-25(35-3)29-12-17)14-37-22-8-19(34-2)9-23-20(22)10-24(38-23)21-13-32-26(30-21)39-27(31-32)36-4/h5-13H,14H2,1-4H3
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n/an/a 0.5n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286423
PNG
(US9518064, Example 39)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(C)nc3F)cc(OC)cc2o1
Show InChI InChI=1S/C27H21FN4O4S/c1-15-7-8-19(25(28)29-15)17-6-4-5-16(9-17)14-35-22-10-18(33-2)11-23-20(22)12-24(36-23)21-13-32-26(30-21)37-27(31-32)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.530n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286467
PNG
(2-Methoxy-6-(6-methoxy-4-((3-(5-(1-((tetrahydro-2H...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(cn3)C(C)OC3CCCCO3)cc(OC)cc2o1
Show InChI InChI=1S/C33H32N4O6S/c1-20(42-31-9-4-5-12-40-31)23-10-11-26(34-17-23)22-8-6-7-21(13-22)19-41-28-14-24(38-2)15-29-25(28)16-30(43-29)27-18-37-32(35-27)44-33(36-37)39-3/h6-8,10-11,13-18,20,31H,4-5,9,12,19H2,1-3H3
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n/an/a 0.560n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286436
PNG
(US9518064, Example 52)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ncc(Cl)cc3C)cc(OC)cc2o1
Show InChI InChI=1S/C27H21ClN4O4S/c1-15-7-18(28)12-29-25(15)17-6-4-5-16(8-17)14-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-13-32-26(30-21)37-27(31-32)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.560n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286449
PNG
(6-(4-((3-(6-Chloropyridin-3-yl)-5-methoxybenzyl)ox...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(OC)cc(c3)-c3ccc(Cl)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21ClN4O5S/c1-33-18-7-15(6-17(8-18)16-4-5-25(28)29-12-16)14-36-22-9-19(34-2)10-23-20(22)11-24(37-23)21-13-32-26(30-21)38-27(31-32)35-3/h4-13H,14H2,1-3H3
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n/an/a 0.570n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286416
PNG
(US9518064, Example 32)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(F)c(C)n3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21FN4O4S/c1-15-20(28)7-8-21(29-15)17-6-4-5-16(9-17)14-35-23-10-18(33-2)11-24-19(23)12-25(36-24)22-13-32-26(30-22)37-27(31-32)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.570n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364941
PNG
(US9862730, Example 399)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4csc(C)n4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C26H22N4O5S2/c1-15-27-17(14-36-15)13-33-18-6-4-5-16(7-18)12-34-22-8-19(31-2)9-23-20(22)10-24(35-23)21-11-30-25(28-21)37-26(29-30)32-3/h4-11,14H,12-13H2,1-3H3
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n/an/a 0.590n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286427
PNG
(US9518064, Example 43)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(cn3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C27H19F3N4O4S/c1-35-18-9-22(19-11-24(38-23(19)10-18)21-13-34-25(32-21)39-26(33-34)36-2)37-14-15-4-3-5-16(8-15)20-7-6-17(12-31-20)27(28,29)30/h3-13H,14H2,1-2H3
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n/an/a 0.600n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286417
PNG
(US9518064, Example 33)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ncc(F)cc3F)cc(OC)cc2o1
Show InChI InChI=1S/C26H18F2N4O4S/c1-33-17-8-21(35-13-14-4-3-5-15(6-14)24-19(28)7-16(27)11-29-24)18-10-23(36-22(18)9-17)20-12-32-25(30-20)37-26(31-32)34-2/h3-12H,13H2,1-2H3
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n/an/a 0.670n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286422
PNG
(US9518064, Example 38)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3cnc(F)c(C)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21FN4O4S/c1-15-7-18(12-29-25(15)28)17-6-4-5-16(8-17)14-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-13-32-26(30-21)37-27(31-32)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.680n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286476
PNG
(US9518064, Example 95)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C3CCCCC3)cc(OC)cc2o1
Show InChI InChI=1S/C27H27N3O4S/c1-31-20-12-23(33-16-17-7-6-10-19(11-17)18-8-4-3-5-9-18)21-14-25(34-24(21)13-20)22-15-30-26(28-22)35-27(29-30)32-2/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3
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n/an/a 0.690n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286439
PNG
(US9518064, Example 55)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccnc(F)c3)cc(OC)cc2o1
Show InChI InChI=1S/C26H19FN4O4S/c1-32-18-10-21(34-14-15-4-3-5-16(8-15)17-6-7-28-24(27)9-17)19-12-23(35-22(19)11-18)20-13-31-25(29-20)36-26(30-31)33-2/h3-13H,14H2,1-2H3
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n/an/a 0.690n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286431
PNG
(US9518064, Example 47)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3cnc(OC)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C26H21N5O5S/c1-32-18-8-21(35-14-15-5-4-6-16(7-15)17-11-27-24(33-2)28-12-17)19-10-23(36-22(19)9-18)20-13-31-25(29-20)37-26(30-31)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.690n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286474
PNG
(US9518064, Example 93)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C3=CCOCC3)cc(OC)cc2o1 |t:25|
Show InChI InChI=1S/C26H23N3O5S/c1-30-19-11-22(33-15-16-4-3-5-18(10-16)17-6-8-32-9-7-17)20-13-24(34-23(20)12-19)21-14-29-25(27-21)35-26(28-29)31-2/h3-6,10-14H,7-9,15H2,1-2H3
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n/an/a 0.710n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286483
PNG
(US9518064, Example 102)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3csc(C)n3)cc(OC)cc2o1
Show InChI InChI=1S/C23H18N6O4S2/c1-12-25-17(11-34-12)21-24-5-4-13(26-21)10-32-18-6-14(30-2)7-19-15(18)8-20(33-19)16-9-29-22(27-16)35-23(28-29)31-3/h4-9,11H,10H2,1-3H3
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n/an/a 0.720n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286473
PNG
(2-Methoxy-6-(6-methoxy-4-((3-(tetrahydro-2H-pyran-...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C26H25N3O5S/c1-30-19-11-22(33-15-16-4-3-5-18(10-16)17-6-8-32-9-7-17)20-13-24(34-23(20)12-19)21-14-29-25(27-21)35-26(28-29)31-2/h3-5,10-14,17H,6-9,15H2,1-2H3
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n/an/a 0.720n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364858
PNG
(US9862730, Example 314)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(F)c4F)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H21F2N3O5S/c1-34-19-10-23(20-12-25(38-24(20)11-19)22-13-33-27(31-22)39-28(32-33)35-2)37-14-16-5-3-7-18(9-16)36-15-17-6-4-8-21(29)26(17)30/h3-13H,14-15H2,1-2H3
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n/an/a 0.720n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364931
PNG
(US9862730, Example 389)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(OC)c(OC)c4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C30H27N3O7S/c1-34-21-12-25(22-14-27(40-26(22)13-21)23-15-33-29(31-23)41-30(32-33)37-4)39-17-18-6-5-7-20(10-18)38-16-19-8-9-24(35-2)28(11-19)36-3/h5-15H,16-17H2,1-4H3
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n/an/a 0.730n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286440
PNG
(US9518064, Example 56)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(Cl)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C26H19ClN4O4S/c1-32-18-9-21(34-14-15-4-3-5-16(8-15)17-6-7-24(27)28-12-17)19-11-23(35-22(19)10-18)20-13-31-25(29-20)36-26(30-31)33-2/h3-13H,14H2,1-2H3
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n/an/a 0.740n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286481
PNG
(US9518064, Example 100)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C26H21N5O5S/c1-32-17-6-4-15(5-7-17)24-27-9-8-16(28-24)14-35-21-10-18(33-2)11-22-19(21)12-23(36-22)20-13-31-25(29-20)37-26(30-31)34-3/h4-13H,14H2,1-3H3
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n/an/a 0.760n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364892
PNG
(US9862730, Example 350)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(F)cc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H22FN3O5S/c1-33-20-11-24(36-16-18-8-19(29)10-21(9-18)35-15-17-6-4-3-5-7-17)22-13-26(37-25(22)12-20)23-14-32-27(30-23)38-28(31-32)34-2/h3-14H,15-16H2,1-2H3
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n/an/a 0.760n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286470
PNG
(US9518064, Example 89)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(OC4CCCCO4)cn3)cc(OC)cc2o1
Show InChI InChI=1S/C31H28N4O6S/c1-36-22-13-26(23-15-28(41-27(23)14-22)25-17-35-30(33-25)42-31(34-35)37-2)39-18-19-6-5-7-20(12-19)24-10-9-21(16-32-24)40-29-8-3-4-11-38-29/h5-7,9-10,12-17,29H,3-4,8,11,18H2,1-2H3
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n/an/a 0.790n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528302
PNG
(CHEMBL4551932)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCOc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-15-10-18(29-9-8-28-14-6-4-3-5-7-14)16-12-20(30-19(16)11-15)17-13-25-21(23-17)31-22(24-25)27-2/h3-7,10-13H,8-9H2,1-2H3
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n/an/a 0.810n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286446
PNG
(6-(4-((3-Fluoro-5-(5-methoxypyridin-2-yl)benzyl)ox...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(F)cc(c3)-c3ccc(OC)cn3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21FN4O5S/c1-33-18-4-5-21(29-12-18)16-6-15(7-17(28)8-16)14-36-23-9-19(34-2)10-24-20(23)11-25(37-24)22-13-32-26(30-22)38-27(31-32)35-3/h4-13H,14H2,1-3H3
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n/an/a 0.840n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286485
PNG
(US9518064, Example 104)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)C3COc4ccccc4O3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N5O6S/c1-33-16-9-21(17-11-23(38-22(17)10-16)18-12-32-26(30-18)39-27(31-32)34-2)35-13-15-7-8-28-25(29-15)24-14-36-19-5-3-4-6-20(19)37-24/h3-12,24H,13-14H2,1-2H3
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n/an/a 0.850n/an/an/an/an/a25



Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364945
PNG
(US9862730, Example 403)
Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2nc(oc2c1)-c1cn2nc(SC)sc2n1
Show InChI InChI=1S/C27H22N4O4S2/c1-32-20-12-22(34-16-18-9-6-10-19(11-18)33-15-17-7-4-3-5-8-17)24-23(13-20)35-25(29-24)21-14-31-26(28-21)37-27(30-31)36-2/h3-14H,15-16H2,1-2H3
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n/an/a 0.860n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364882
PNG
((R)-6-(4-((2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy)...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC[C@@H]3COC(C)(C)O3)cc(OC)cc2o1 |r|
Show InChI InChI=1S/C20H21N3O6S/c1-20(2)27-10-12(29-20)9-26-15-5-11(24-3)6-16-13(15)7-17(28-16)14-8-23-18(21-14)30-19(22-23)25-4/h5-8,12H,9-10H2,1-4H3/t12-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528303
PNG
(CHEMBL4462511)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Sc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N3O4S2/c1-31-18-12-23(33-16-17-7-6-10-20(11-17)35-19-8-4-3-5-9-19)21-14-25(34-24(21)13-18)22-15-30-26(28-22)36-27(29-30)32-2/h3-15H,16H2,1-2H3
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n/an/a 0.890n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286482
PNG
(2-Methoxy-6-(6-methoxy-4-((2-phenylpyrimidin-4-yl)...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C25H19N5O4S/c1-31-17-10-20(33-14-16-8-9-26-23(27-16)15-6-4-3-5-7-15)18-12-22(34-21(18)11-17)19-13-30-24(28-19)35-25(29-30)32-2/h3-13H,14H2,1-2H3
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Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176047
PNG
(US10047103, 80 | US9688695, 80)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(Cl)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H16ClN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3
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Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8VWN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM286460
PNG
(US9518064, Example 78)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)-c3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C27H22N4O5S/c1-32-18-9-7-16(8-10-18)21-6-4-5-17(28-21)15-35-23-11-19(33-2)12-24-20(23)13-25(36-24)22-14-31-26(29-22)37-27(30-31)34-3/h4-14H,15H2,1-3H3
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Bristol-Myers Squibb Company; Universite De Montreal

US Patent


Assay Description
The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-L...


US Patent US9518064 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4SZX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM176041
PNG
(US10047103, 74 | US9688695, 74)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(C)nc3)cc(OC)cc2o1
Show InChI InChI=1S/C24H19N5O4S2/c1-13-4-5-14(9-25-13)22-26-15(12-34-22)11-32-19-6-16(30-2)7-20-17(19)8-21(33-20)18-10-29-23(27-18)35-24(28-29)31-3/h4-10,12H,11H2,1-3H3
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Bristol-Myers Squibb Company; Universite de Montreal

US Patent


Assay Description
The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...


US Patent US10047103 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8VWN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364887
PNG
(US9862730, Example 345)
Show SMILES COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(SC)sc2n1
Show InChI InChI=1S/C28H23N3O4S2/c1-32-21-12-24(34-17-19-9-6-10-20(11-19)33-16-18-7-4-3-5-8-18)22-14-26(35-25(22)13-21)23-15-31-27(29-23)37-28(30-31)36-2/h3-15H,16-17H2,1-2H3
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n/an/a 0.970n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellu...


J Med Chem 48: 6661-70 (2005)


BindingDB Entry DOI: 10.7270/Q2X92DKF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528281
PNG
(CHEMBL4457190)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C#N)cc(OC)cc2o1
Show InChI InChI=1S/C22H16N4O4S/c1-27-15-7-18(29-12-14-5-3-4-13(6-14)10-23)16-9-20(30-19(16)8-15)17-11-26-21(24-17)31-22(25-26)28-2/h3-9,11H,12H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
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