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Compile Data Set for Download or QSAR

Found 1616 hits with Last Name = 'banville' and Initial = 'j'   
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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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))		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))		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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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))		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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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))		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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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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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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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))		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))		BDBM50600791
PNG
(CHEMBL5177223)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(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))		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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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))		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
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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))		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))		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))		BDBM50600784
PNG
(CHEMBL5184586)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cc(OC)cc(c3)C(F)(F)F)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))		BDBM50600790
PNG
(CHEMBL5171201)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)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))		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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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))		BDBM175989
PNG
(US10047103, 22 | US9688695, 22)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCN(C)CC3)cc(OC)cc2o1
Show InChI InChI=1S/C23H24N6O4S2/c1-27-4-6-28(7-5-27)21-24-14(13-34-21)12-32-18-8-15(30-2)9-19-16(18)10-20(33-19)17-11-29-22(25-17)35-23(26-29)31-3/h8-11,13H,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))		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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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))		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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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))		BDBM286394
PNG
(US9518064, Example 6)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccoc3)cc(OC)cc2o1
Show InChI InChI=1S/C25H19N3O5S/c1-29-18-9-21(32-13-15-4-3-5-16(8-15)17-6-7-31-14-17)19-11-23(33-22(19)10-18)20-12-28-24(26-20)34-25(27-28)30-2/h3-12,14H,13H2,1-2H3
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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))		BDBM50600785
PNG
(CHEMBL5173906)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(OC)nc3)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))		BDBM176032
PNG
(US10047103, 65 | US9688695, 65)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cccc(c3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-6-15(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))		BDBM176048
PNG
(US10047103, 81 | US9688695, 81)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)S(C)(=O)=O)cc(OC)cc2o1
Show InChI InChI=1S/C25H20N4O6S3/c1-32-16-8-20(34-12-15-13-36-23(26-15)14-4-6-17(7-5-14)38(3,30)31)18-10-22(35-21(18)9-16)19-11-29-24(27-19)37-25(28-29)33-2/h4-11,13H,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))		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))		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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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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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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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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00359
BindingDB Entry DOI: 10.7270/Q2VH5SWM
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
PDB

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n/an/a 0.940n/an/an/an/an/a25



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
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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n/an/a 0.960n/an/an/an/an/a25



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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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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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))		BDBM364615
PNG
(US9862730, Example 73)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cc(OC)cc2o1
Show InChI InChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.990n/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))		BDBM364615
PNG
(US9862730, Example 73)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cc(OC)cc2o1
Show InChI InChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3
UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
n/an/a 0.990n/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
Prothrombin


(Homo sapiens (Human))		BDBM176255
PNG
(US10047103, 288 | US9688695, 288)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1
Show InChI InChI=1S/C28H22N6O5S2/c1-33(9-8-29)26(35)17-6-4-16(5-7-17)25-30-18(15-40-25)14-38-22-10-19(36-2)11-23-20(22)12-24(39-23)21-13-34-27(31-21)41-28(32-34)37-3/h4-7,10-13,15H,9,14H2,1-3H3
PDB

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/a25



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))		BDBM364957
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-(difluoromethoxy...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC(F)F)cc2o1
Show InChI InChI=1S/C28H21F2N3O5S/c1-34-28-32-33-14-22(31-27(33)39-28)25-13-21-23(11-20(37-26(29)30)12-24(21)38-25)36-16-18-8-5-9-19(10-18)35-15-17-6-3-2-4-7-17/h2-14,26H,15-16H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
US Patent
n/an/a 1.09n/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
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