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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'allegretto' and Initial = 'nj'   
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))
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))
BDBM50528303
PNG
(CHEMBL4462511)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Sc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N3O4S2/c1-31-18-12-23(33-16-17-7-6-10-20(11-17)35-19-8-4-3-5-9-19)21-14-25(34-24(21)13-18)22-15-30-26(28-22)36-27(29-30)32-2/h3-15H,16H2,1-2H3
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n/an/a 0.890n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


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


J Med Chem 62: 7400-7416 (2019)


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


(Homo sapiens (Human))
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
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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))
BDBM50528290
PNG
(CHEMBL4457819)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O4S/c1-26-15-10-18(28-9-8-14-6-4-3-5-7-14)16-12-20(29-19(16)11-15)17-13-25-21(23-17)30-22(24-25)27-2/h3-7,10-13H,8-9H2,1-2H3
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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))
BDBM364613
PNG
(US9862730, Example 71)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccc(OC)cc2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-9-4-3-8-5-12(20-11(8)6-9)10-7-17-13(15-10)21-14(16-17)19-2/h3-7H,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))
BDBM50528296
PNG
(CHEMBL4461217)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Oc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N3O5S/c1-31-20-12-23(33-16-17-7-6-10-19(11-17)34-18-8-4-3-5-9-18)21-14-25(35-24(21)13-20)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))
BDBM50528287
PNG
(CHEMBL4447049)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(OCc4ccccc4)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-8-10-20(11-9-19)34-16-18-6-4-3-5-7-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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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))
BDBM50528295
PNG
(CHEMBL4539616)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-6-4-13(5-7-14)12-29-18-8-15(27-2)9-19-16(18)10-20(30-19)17-11-25-21(23-17)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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n/an/a 1.60n/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))
BDBM50528291
PNG
(CHEMBL4452111)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3C)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O4S/c1-13-6-4-5-7-14(13)12-28-18-8-15(26-2)9-19-16(18)10-20(29-19)17-11-25-21(23-17)30-22(24-25)27-3/h4-11H,12H2,1-3H3
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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))
BDBM50528282
PNG
(CHEMBL4580391)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCOCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H21N3O5S/c1-27-16-10-19(30-9-8-29-14-15-6-4-3-5-7-15)17-12-21(31-20(17)11-16)18-13-26-22(24-18)32-23(25-26)28-2/h3-7,10-13H,8-9,14H2,1-2H3
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n/an/a 1.80n/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))
BDBM50528292
PNG
(CHEMBL4537548)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3Cl)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-13-7-17(28-11-12-5-3-4-6-15(12)22)14-9-19(29-18(14)8-13)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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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))
BDBM364746
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofura...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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n/an/a 2.40n/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))
BDBM50528297
PNG
(CHEMBL4441723)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(CCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C29H25N3O4S/c1-33-22-14-25(35-18-21-10-6-9-20(13-21)12-11-19-7-4-3-5-8-19)23-16-27(36-26(23)15-22)24-17-32-28(30-24)37-29(31-32)34-2/h3-10,13-17H,11-12,18H2,1-2H3
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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))
BDBM364569
PNG
(2-Methoxy-6-(7-methoxybenzofuran-2-yl)imidazo[2,1-...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cccc(OC)c2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-10-5-3-4-8-6-11(20-12(8)10)9-7-17-13(15-9)21-14(16-17)19-2/h3-7H,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))
BDBM50528293
PNG
(CHEMBL4523001)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-14-7-17(31-11-12-4-3-5-13(6-12)22(23,24)25)15-9-19(32-18(15)8-14)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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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))
BDBM50528280
PNG
(CHEMBL4483493)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(O)c3)cc(OC)cc2o1
Show InChI InChI=1S/C21H17N3O5S/c1-26-14-7-17(28-11-12-4-3-5-13(25)6-12)15-9-19(29-18(15)8-14)16-10-24-20(22-16)30-21(23-24)27-2/h3-10,25H,11H2,1-2H3
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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))
BDBM50528298
PNG
(CHEMBL4465125)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(COc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-8-6-7-18(11-19)16-34-20-9-4-3-5-10-20)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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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))
BDBM50528279
PNG
(CHEMBL4528562)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3OCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-20-12-24(35-17-19-10-6-7-11-23(19)34-16-18-8-4-3-5-9-18)21-14-26(36-25(21)13-20)22-15-31-27(29-22)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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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))
BDBM50528284
PNG
(CHEMBL4474285)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Cl)c3)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-14-7-17(28-11-12-4-3-5-13(22)6-12)15-9-19(29-18(15)8-14)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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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))
BDBM50528305
PNG
(CHEMBL4476101)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-13-7-17(31-11-12-5-3-4-6-15(12)22(23,24)25)14-9-19(32-18(14)8-13)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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n/an/a 3.40n/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 1


(Homo sapiens (Human))
BDBM50054895
PNG
(2-[2-[2-[Acetyl-(3-propynoyl-phenyl)-amino]-3-(4-f...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-c1cccc(c1)-[#6](=O)C#C)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C48H64FN15O7/c1-5-40(66)31-9-6-10-34(26-31)64(28(4)65)39(25-30-13-17-32(49)18-14-30)45(71)63-38(24-29-15-19-33(20-16-29)59-48(55)56)44(70)62-37(23-27(2)3)43(69)61-36(12-8-22-58-47(53)54)42(68)60-35(41(50)67)11-7-21-57-46(51)52/h1,6,9-10,13-20,26-27,35-39H,7-8,11-12,21-25H2,2-4H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199438
PNG
(CHEMBL3931873)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3O2S/c1-17-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
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n/an/a 4n/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))
BDBM364744
PNG
(6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-metho...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C21H17N3O4S/c1-25-14-8-17(27-12-13-6-4-3-5-7-13)15-10-19(28-18(15)9-14)16-11-24-20(22-16)29-21(23-24)26-2/h3-11H,12H2,1-2H3
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n/an/a 4.20n/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))
BDBM50528294
PNG
(CHEMBL4452516)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(cc3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-14-7-17(31-11-12-3-5-13(6-4-12)22(23,24)25)15-9-19(32-18(15)8-14)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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n/an/a 4.30n/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 1


(Homo sapiens (Human))
BDBM50054899
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C47H64FN13O7/c1-28(2)25-37(43(66)58-36(12-8-24-55-46(51)52)42(65)57-35(41(50)64)11-7-23-49)59-44(67)38(26-31-15-20-34(21-16-31)56-47(53)54)60-45(68)39(27-32-13-18-33(48)19-14-32)61(29(3)62)40(63)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27,49H2,1-3H3,(H2,50,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H4,51,52,55)(H4,53,54,56)
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n/an/a 6.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054853
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C48H66FN15O7/c1-28(2)25-37(43(69)61-36(12-8-24-58-47(53)54)42(68)60-35(41(50)67)11-7-23-57-46(51)52)62-44(70)38(26-31-15-20-34(21-16-31)59-48(55)56)63-45(71)39(27-32-13-18-33(49)19-14-32)64(29(3)65)40(66)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27H2,1-3H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364571
PNG
(6-(4-Methoxybenzofuran-2-yl)-2-(methylthio)imidazo...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cccc2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-10-4-3-5-11-8(10)6-12(20-11)9-7-17-13(15-9)21-14(16-17)19-2/h3-7H,1-2H3
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n/an/a 7.60n/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 1


(Homo sapiens (Human))
BDBM50054911
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C42H54FN11O6/c1-25(2)22-33(38(58)51-32(37(44)57)10-7-21-49-41(45)46)52-39(59)34(23-28-13-18-31(19-14-28)50-42(47)48)53-40(60)35(24-29-11-16-30(43)17-12-29)54(26(3)55)36(56)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24H2,1-3H3,(H2,44,57)(H,51,58)(H,52,59)(H,53,60)(H4,45,46,49)(H4,47,48,50)
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n/an/a 7.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364746
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofura...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins f...


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 1


(Homo sapiens (Human))
BDBM50054897
PNG
(2-[2-[2-[Acetyl-(3-propionyl-phenyl)-amino]-3-(4-f...)
Show SMILES [#6]-[#6]-[#6](=O)-c1cccc(c1)-[#7](-[#6](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)-[#6](-[#6])=O
Show InChI InChI=1S/C48H68FN15O7/c1-5-40(66)31-9-6-10-34(26-31)64(28(4)65)39(25-30-13-17-32(49)18-14-30)45(71)63-38(24-29-15-19-33(20-16-29)59-48(55)56)44(70)62-37(23-27(2)3)43(69)61-36(12-8-22-58-47(53)54)42(68)60-35(41(50)67)11-7-21-57-46(51)52/h6,9-10,13-20,26-27,35-39H,5,7-8,11-12,21-25H2,1-4H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528300
PNG
(CHEMBL4459685)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OC)c3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-6-4-5-13(7-14)12-29-18-8-15(27-2)9-19-16(18)10-20(30-19)17-11-25-21(23-17)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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n/an/a 9.40n/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))
BDBM364644
PNG
(US9862730, Example 103)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)ccc(OC)c2o1
Show InChI InChI=1S/C15H13N3O4S/c1-19-10-4-5-11(20-2)13-8(10)6-12(22-13)9-7-18-14(16-9)23-15(17-18)21-3/h4-7H,1-3H3
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n/an/a 11n/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))
BDBM364565
PNG
(6-(Benzofuran-2-yl)-2-(methylthio)imidazo[2,1-b][1...)
Show SMILES CSc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3OS2/c1-18-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
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n/an/a 11n/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))
BDBM50528283
PNG
(CHEMBL4454407)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(Cl)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-14-7-17(28-11-12-3-5-13(22)6-4-12)15-9-19(29-18(15)8-14)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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n/an/a 11n/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 1


(Homo sapiens (Human))
BDBM50054927
PNG
((R)-2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-...)
Show SMILES CC(C)CC(NC(=O)[C@@H](CCCCNC(N)=N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O |w:36.37|
Show InChI InChI=1S/C39H56FN11O6/c1-24(2)22-31(36(56)48-29(34(41)54)13-9-21-47-39(44)45)50-35(55)30(12-7-8-20-46-38(42)43)49-37(57)32(23-27-14-17-28(40)18-15-27)51(25(3)52)33(53)19-16-26-10-5-4-6-11-26/h4-6,10-11,14-19,24,29-32H,7-9,12-13,20-23H2,1-3H3,(H2,41,54)(H,48,56)(H,49,57)(H,50,55)(H4,42,43,46)(H4,44,45,47)/t29?,30-,31?,32?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054854
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C41H52FN9O6/c1-25(2)22-33(38(55)48-32(37(44)54)10-7-21-43)49-39(56)34(23-28-13-18-31(19-14-28)47-41(45)46)50-40(57)35(24-29-11-16-30(42)17-12-29)51(26(3)52)36(53)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24,43H2,1-3H3,(H2,44,54)(H,48,55)(H,49,56)(H,50,57)(H4,45,46,47)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054862
PNG
(4-(2-{2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-am...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#6]-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C49H66FN13O8/c1-29(2)25-38(45(69)60-37(12-8-24-57-48(53)54)44(68)59-36(11-7-23-51)41(65)28-42(52)66)61-46(70)39(26-32-15-20-35(21-16-32)58-49(55)56)62-47(71)40(27-33-13-18-34(50)19-14-33)63(30(3)64)43(67)22-17-31-9-5-4-6-10-31/h4-6,9-10,13-22,29,36-40H,7-8,11-12,23-28,51H2,1-3H3,(H2,52,66)(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H4,53,54,57)(H4,55,56,58)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528301
PNG
(CHEMBL4445561)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3OC)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-8-18(29-12-13-6-4-5-7-17(13)27-2)15-10-20(30-19(15)9-14)16-11-25-21(23-16)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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n/an/a 19n/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 1


(Homo sapiens (Human))
BDBM50369180
PNG
(CHEMBL611206)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]-[#16]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C41H54FN11O6S/c1-24(2)20-32(37(57)50-31(36(43)56)10-7-19-48-40(44)45)51-38(58)33(21-26-13-17-29(18-14-26)49-41(46)47)52-39(59)34(22-27-11-15-28(42)16-12-27)53(25(3)54)35(55)23-60-30-8-5-4-6-9-30/h4-6,8-9,11-18,24,31-34H,7,10,19-23H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054869
PNG
(1H-Indole-3-carboxylic acid [1-[1-[1-(1-carbamoyl-...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=N)C(N)=O |(11.06,-13.01,;11.83,-11.69,;11.06,-10.36,;13.37,-11.69,;14.14,-13.01,;15.67,-13.01,;16.46,-11.69,;15.67,-10.36,;18,-11.69,;18.77,-10.36,;20.32,-10.36,;21.09,-11.69,;22.62,-11.69,;23.39,-10.36,;22.62,-9.01,;21.09,-9.01,;24.93,-10.36,;25.7,-11.69,;27.24,-11.69,;24.93,-13.01,;18.77,-13.01,;18,-14.35,;16.46,-14.35,;18.77,-15.69,;20.32,-15.69,;21.63,-16.6,;21.63,-18.14,;22.96,-18.91,;24.31,-18.14,;25.63,-18.91,;24.31,-16.6,;22.96,-15.83,;18,-17.02,;18.77,-18.36,;20.32,-18.36,;18,-19.7,;16.46,-19.86,;16.15,-21.36,;17.49,-22.13,;17.81,-23.64,;19.26,-24.12,;20.41,-23.07,;20.09,-21.57,;18.62,-21.09,;13.37,-14.35,;14.14,-15.69,;11.83,-14.35,;11.06,-15.69,;9.52,-15.69,;8.75,-14.35,;7.21,-14.35,;6.45,-13.01,;4.9,-13.01,;4.13,-14.35,;4.13,-11.69,;11.83,-17.02,;13.37,-17.02,;11.06,-18.36,)|
Show InChI InChI=1S/C40H51FN12O5/c1-22(2)18-31(36(56)50-30(34(42)54)8-5-17-47-39(43)44)52-38(58)33(20-24-11-15-26(16-12-24)49-40(45)46)53-37(57)32(19-23-9-13-25(41)14-10-23)51-35(55)28-21-48-29-7-4-3-6-27(28)29/h3-4,6-7,9-16,21-22,30-33,48H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,56)(H,51,55)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,49)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054903
PNG
(2-[2-[2-{Acetyl-[(E)-3-(4-fluoro-phenyl)-acryloyl]...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C48H65F2N15O7/c1-27(2)24-37(43(70)62-36(7-5-23-59-47(54)55)42(69)61-35(41(51)68)6-4-22-58-46(52)53)63-44(71)38(25-30-12-19-34(20-13-30)60-48(56)57)64-45(72)39(26-31-10-17-33(50)18-11-31)65(28(3)66)40(67)21-14-29-8-15-32(49)16-9-29/h8-21,27,35-39H,4-7,22-26H2,1-3H3,(H2,51,68)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054872
PNG
(2-[2-[2-[Acetyl-(2-phenoxy-acetyl)-amino]-3-(4-flu...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]-[#8]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C41H54FN11O7/c1-24(2)20-32(37(57)50-31(36(43)56)10-7-19-48-40(44)45)51-38(58)33(21-26-13-17-29(18-14-26)49-41(46)47)52-39(59)34(22-27-11-15-28(42)16-12-27)53(25(3)54)35(55)23-60-30-8-5-4-6-9-30/h4-6,8-9,11-18,24,31-34H,7,10,19-23H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054853
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C48H66FN15O7/c1-28(2)25-37(43(69)61-36(12-8-24-58-47(53)54)42(68)60-35(41(50)67)11-7-23-57-46(51)52)62-44(70)38(26-31-15-20-34(21-16-31)59-48(55)56)63-45(71)39(27-32-13-18-33(49)19-14-32)64(29(3)65)40(66)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27H2,1-3H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (SFFLRR-NH2, at 3 uM) induced platelet aggregation by 50%


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054898
PNG
(5-(2-{2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-am...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#6]-[#6]-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C50H68FN13O8/c1-30(2)27-39(46(70)61-38(12-8-26-58-49(54)55)45(69)60-37(11-7-25-52)42(66)22-23-43(53)67)62-47(71)40(28-33-15-20-36(21-16-33)59-50(56)57)63-48(72)41(29-34-13-18-35(51)19-14-34)64(31(3)65)44(68)24-17-32-9-5-4-6-10-32/h4-6,9-10,13-21,24,30,37-41H,7-8,11-12,22-23,25-29,52H2,1-3H3,(H2,53,67)(H,60,69)(H,61,70)(H,62,71)(H,63,72)(H4,54,55,58)(H4,56,57,59)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054934
PNG
(2-[2-[2-[Acetyl-(3-acryloyl-thiophen-2-yl)-amino]-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-c1sccc1-[#6](=O)-[#6]=[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C40H52FN11O6S/c1-5-33(54)28-16-18-59-38(28)52(23(4)53)32(21-25-8-12-26(41)13-9-25)37(58)51-31(20-24-10-14-27(15-11-24)48-40(45)46)36(57)50-30(19-22(2)3)35(56)49-29(34(42)55)7-6-17-47-39(43)44/h5,8-16,18,22,29-32H,1,6-7,17,19-21H2,2-4H3,(H2,42,55)(H,49,56)(H,50,57)(H,51,58)(H4,43,44,47)(H4,45,46,48)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054875
PNG
(2-[2-[2-{Acetyl-[(E)-3-(4-fluoro-phenyl)-acryloyl]...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(F)cc1)-[#7](-[#6](-[#6])=O)-[#6](=O)-[#6]=[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:39.41|
Show InChI InChI=1S/C42H53F2N11O6/c1-24(2)21-33(38(59)52-32(37(45)58)5-4-20-50-41(46)47)53-39(60)34(22-27-10-17-31(18-11-27)51-42(48)49)54-40(61)35(23-28-8-15-30(44)16-9-28)55(25(3)56)36(57)19-12-26-6-13-29(43)14-7-26/h6-19,24,32-35H,4-5,20-23H2,1-3H3,(H2,45,58)(H,52,59)(H,53,60)(H,54,61)(H4,46,47,50)(H4,48,49,51)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054874
PNG
(CHEMBL144616 | N-Acetyl-N-[1-[1-[1-(1-carbamoyl-4-...)
Show SMILES [#6]C#Cc1ccccc1-[#6](=O)-[#7](-[#6](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)-[#6](-[#6])=O
Show InChI InChI=1S/C43H54FN11O6/c1-5-9-29-10-6-7-11-32(29)41(61)55(26(4)56)36(24-28-13-17-30(44)18-14-28)40(60)54-35(23-27-15-19-31(20-16-27)51-43(48)49)39(59)53-34(22-25(2)3)38(58)52-33(37(45)57)12-8-21-50-42(46)47/h6-7,10-11,13-20,25,33-36H,8,12,21-24H2,1-4H3,(H2,45,57)(H,52,58)(H,53,59)(H,54,60)(H4,46,47,50)(H4,48,49,51)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364751
PNG
(6-(4-(Benzyloxy)benzofuran-2-yl)-2-methoxyimidazo[...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cccc2o1
Show InChI InChI=1S/C20H15N3O3S/c1-24-20-22-23-11-15(21-19(23)27-20)18-10-14-16(8-5-9-17(14)26-18)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
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n/an/a 24n/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 1


(Homo sapiens (Human))
BDBM50054870
PNG
(1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O |(8.25,-8.7,;9.02,-7.37,;8.25,-6.04,;10.56,-7.37,;11.33,-8.7,;12.87,-8.7,;13.66,-7.37,;12.87,-6.04,;15.2,-7.37,;15.97,-6.04,;17.53,-6.04,;18.3,-7.37,;19.84,-7.37,;20.61,-6.04,;19.84,-4.69,;18.3,-4.69,;22.15,-6.04,;22.92,-7.37,;24.46,-7.37,;22.15,-8.7,;15.97,-8.7,;15.2,-10.04,;13.66,-10.04,;15.97,-11.39,;17.53,-11.39,;18.84,-12.3,;18.84,-13.84,;20.17,-14.61,;21.52,-13.84,;22.84,-14.61,;21.52,-12.3,;20.17,-11.53,;15.2,-12.72,;15.97,-14.06,;17.53,-14.06,;15.2,-15.4,;15.82,-16.78,;14.69,-17.84,;14.69,-19.38,;13.35,-20.15,;12,-19.38,;12,-17.84,;13.35,-17.07,;13.66,-15.56,;10.56,-10.04,;11.33,-11.39,;9.02,-10.04,;8.25,-11.39,;6.71,-11.39,;5.94,-10.04,;4.39,-10.04,;3.63,-8.7,;2.08,-8.7,;1.31,-10.04,;1.31,-7.37,;9.02,-12.72,;10.56,-12.72,;8.25,-14.06,)|
Show InChI InChI=1S/C40H51FN12O5/c1-22(2)18-30(35(55)50-29(34(42)54)8-5-17-47-39(43)44)51-36(56)32(20-24-11-15-27(16-12-24)48-40(45)46)52-37(57)31(19-23-9-13-26(41)14-10-23)53-38(58)33-21-25-6-3-4-7-28(25)49-33/h3-4,6-7,9-16,21-22,29-32,49H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,55)(H,51,56)(H,52,57)(H,53,58)(H4,43,44,47)(H4,45,46,48)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
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