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Compile Data Set for Download or QSAR

Found 933 hits of ic50 data for polymerid = 364   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM176023
PNG
(US10047103, 56 | US9688695, 56)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O5S2/c1-29-15-8-18(32-12-14-13-34-21(24-14)27-4-3-6-31-7-5-27)16-10-20(33-19(16)9-15)17-11-28-22(25-17)35-23(26-28)30-2/h8-11,13H,3-7,12H2,1-2H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
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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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))
BDBM176053
PNG
(US10047103, 86 | US9688695, 86)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H20F3N5O5S2/c1-32-12-7-16(35-11-15-19(23(24,25)26)37-20(28-15)30-3-5-34-6-4-30)13-9-18(36-17(13)8-12)14-10-31-21(27-14)38-22(29-31)33-2/h7-10H,3-6,11H2,1-2H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176082
PNG
(US10047103, 115 | US9688695, 115)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCC(F)(F)CC3)cc(OC)cc2o1
Show InChI InChI=1S/C24H22F2N4O4S2/c1-31-15-7-18(33-11-14-12-35-21(27-14)13-3-5-24(25,26)6-4-13)16-9-20(34-19(16)8-15)17-10-30-22(28-17)36-23(29-30)32-2/h7-10,12-13H,3-6,11H2,1-2H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176039
PNG
(US10047103, 72 | US9688695, 72)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(N)=O)cc(OC)cc2o1
Show InChI InChI=1S/C25H19N5O5S2/c1-32-16-7-19(34-11-15-12-36-23(27-15)14-5-3-13(4-6-14)22(26)31)17-9-21(35-20(17)8-16)18-10-30-24(28-18)37-25(29-30)33-2/h3-10,12H,11H2,1-2H3,(H2,26,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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))
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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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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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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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))
BDBM50600788
PNG
(CHEMBL5206065)
Show SMILES CCCc1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176003
PNG
(US10047103, 36 | US9688695, 36)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176061
PNG
(US10047103, 94 | US9688695, 94)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50600792
PNG
(CHEMBL5189522)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)N3CCOCC3)cc(OC)cc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM175988
PNG
(US10047103, 21 | US9688695, 21)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCCCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O4S2/c1-29-15-8-18(31-12-14-13-33-21(24-14)27-6-4-3-5-7-27)16-10-20(32-19(16)9-15)17-11-28-22(25-17)34-23(26-28)30-2/h8-11,13H,3-7,12H2,1-2H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176007
PNG
(US10047103, 40 | US9688695, 40)
Show SMILES CNC(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C26H21N5O5S2/c1-27-23(32)14-4-6-15(7-5-14)24-28-16(13-37-24)12-35-20-8-17(33-2)9-21-18(20)10-22(36-21)19-11-31-25(29-19)38-26(30-31)34-3/h4-11,13H,12H2,1-3H3,(H,27,32)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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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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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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))
BDBM176033
PNG
(US10047103, 66 | US9688695, 66)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C28H25N5O5S2/c1-15-21(29-25(39-15)16-6-8-17(9-7-16)26(34)32(2)3)14-37-22-10-18(35-4)11-23-19(22)12-24(38-23)20-13-33-27(30-20)40-28(31-33)36-5/h6-13H,14H2,1-5H3
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Inhibition of human PAR4 expressed in HEK293 cells assessed as Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-induced inhibition of calcium mobiliza...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112893
BindingDB Entry DOI: 10.7270/Q2028W8P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM454734
PNG
(US10730868, Ex. No. 2)
Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3ccc(nc3)C(=O)NCC(C)(C)O)cc2s1 |r|
Show InChI InChI=1S/C34H33F3N6O6S/c1-17-9-19(29-23(10-17)42-28(47-4)15-39-29)31-43-22-11-20(35)25(12-27(22)50-31)48-26-13-34(36,37)8-7-24(26)49-32(45)41-18-5-6-21(38-14-18)30(44)40-16-33(2,3)46/h5-6,9-12,14-15,24,26,46H,7-8,13,16H2,1-4H3,(H,40,44)(H,41,45)/t24-,26+/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...


US Patent US10730868 (2020)


BindingDB Entry DOI: 10.7270/Q2125WQP
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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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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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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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))
BDBM454806
PNG
(US10730868, Ex. No. 73)
Show SMILES COc1ccc(NC(=O)O[C@@H]2CC[C@@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r|
Show InChI InChI=1S/C28H24FN5O5S/c1-14-8-16(26-19(9-14)33-25(37-3)13-31-26)27-34-18-10-17(29)22(11-23(18)40-27)38-20-5-6-21(20)39-28(35)32-15-4-7-24(36-2)30-12-15/h4,7-13,20-21H,5-6H2,1-3H3,(H,32,35)/t20-,21+/m0/s1
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US Patent


Assay Description
FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...


US Patent US10730868 (2020)


BindingDB Entry DOI: 10.7270/Q2125WQP
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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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))
BDBM176026
PNG
(US10047103, 59 | US9688695, 59)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCSCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H22N4O4S3/c1-28-15-7-18(30-11-14-12-33-21(24-14)13-3-5-32-6-4-13)16-9-20(31-19(16)8-15)17-10-27-22(25-17)34-23(26-27)29-2/h7-10,12-13H,3-6,11H2,1-2H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176019
PNG
(US10047103, 52 | US9688695, 52)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C21H20N4O4S2/c1-11(2)19-22-12(10-30-19)9-28-16-5-13(26-3)6-17-14(16)7-18(29-17)15-8-25-20(23-15)31-21(24-25)27-4/h5-8,10-11H,9H2,1-4H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50578824
PNG
(CHEMBL4860533)
Show SMILES COc1cc(Cl)c2nc(sc2c1)-c1cc(C)cc2c1ncn(C)c2=O
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Assay Description
Antagonist activity at human PAR4 expressed in Ga15-HEK293 cells assessed as reduction in PAR4 AP AYPGKF-NH2-induced cytosolic calcium incubated for ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113764
BindingDB Entry DOI: 10.7270/Q2028WC1
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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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))
BDBM176061
PNG
(US10047103, 94 | US9688695, 94)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
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Assay Description
Inhibition of human PAR4 expressed in HEK293 cells assessed as Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-induced inhibition of calcium mobiliza...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112893
BindingDB Entry DOI: 10.7270/Q2028W8P
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))
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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UniChem
US Patent
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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US Patent
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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UniChem
US Patent
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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US Patent
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))
BDBM50600791
PNG
(CHEMBL5177223)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)N3CCOCC3)cc(OC)cc2o1
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UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176059
PNG
(US10047103, 92 | US9688695, 92)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CC4CCC(C3)O4)cc(OC)cc2o1
Show InChI InChI=1S/C24H23N5O5S2/c1-30-16-5-19(32-11-13-12-35-22(25-13)28-8-14-3-4-15(9-28)33-14)17-7-21(34-20(17)6-16)18-10-29-23(26-18)36-24(27-29)31-2/h5-7,10,12,14-15H,3-4,8-9,11H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176258
PNG
(US10047103, 291 | US9688695, 291)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCC(F)(F)C3)cc(OC)cc2o1
Show InChI InChI=1S/C29H23F2N5O5S2/c1-38-19-9-22(20-11-24(41-23(20)10-19)21-12-36-27(33-21)43-28(34-36)39-2)40-13-18-14-42-25(32-18)16-3-5-17(6-4-16)26(37)35-8-7-29(30,31)15-35/h3-6,9-12,14H,7-8,13,15H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM176063
PNG
(US10047103, 96 | US9688695, 96)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3coc(n3)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C22H21N5O6S/c1-28-14-7-17(31-11-13-12-32-20(23-13)26-3-5-30-6-4-26)15-9-19(33-18(15)8-14)16-10-27-21(24-16)34-22(25-27)29-2/h7-10,12H,3-6,11H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
More data for this
Ligand-Target Pair
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