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Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'marinier' and Initial = 'a'   
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))
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))
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))
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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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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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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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))
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))
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))
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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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))
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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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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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))
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))
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))
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))
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))
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))
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))
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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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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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))
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))
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))
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))
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))
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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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))
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))
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))
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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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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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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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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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))
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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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))
BDBM176268
PNG
(US10047103, 301 | US9688695, 301)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCCC3)cc(OC)cc2o1
Show InChI InChI=1S/C29H25N5O5S2/c1-36-20-11-23(21-13-25(39-24(21)12-20)22-14-34-28(31-22)41-29(32-34)37-2)38-15-19-16-40-26(30-19)17-5-7-18(8-6-17)27(35)33-9-3-4-10-33/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3
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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))
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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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))
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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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))
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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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))
BDBM175990
PNG
(US10047103, 23 | US9688695, 23)
Show SMILES CCc1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show InChI InChI=1S/C20H18N4O4S2/c1-4-18-21-11(10-29-18)9-27-15-5-12(25-2)6-16-13(15)7-17(28-16)14-8-24-19(22-14)30-20(23-24)26-3/h5-8,10H,4,9H2,1-3H3
UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


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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))
BDBM175972
PNG
(US10047103, 5 | US9688695, 5)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCOCC3)cc(OC)cc2o1
Show InChI InChI=1S/C22H21N5O5S2/c1-28-14-7-17(31-11-13-12-33-20(23-13)26-3-5-30-6-4-26)15-9-19(32-18(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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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


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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))
BDBM50600791
PNG
(CHEMBL5177223)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)N3CCOCC3)cc(OC)cc2o1
UniProtKB/SwissProt

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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))
BDBM50600784
PNG
(CHEMBL5184586)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(OC)cc(c3)C(F)(F)F)cc(OC)cc2o1
UniProtKB/SwissProt

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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))
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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US Patent
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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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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US Patent
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
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