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Compile Data Set for Download or QSAR

Found 1120 hits of ic50 for UniProtKB: P25116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230694
PNG
(US9340530, 28)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnc(C)o3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1S/C27H26ClF2N3O3/c1-15-20(11-10-19-9-8-18(13-31-19)21-6-4-5-7-22(21)28)24-16(2)35-25(34)26(24,14-27(15,29)30)12-23-33-32-17(3)36-23/h4-11,13,15-16,20,24H,12,14H2,1-3H3/b11-10+/t15-,16+,20-,24?,26+/m0/s1
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50197614
PNG
(CHEMBL3939323 | US10322140, Example 12)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1cc[nH]n1 |r|
Show InChI InChI=1S/C27H24F2N4O2/c1-16-21(10-9-20-8-7-19(14-31-20)22-6-4-3-5-18(22)13-30)24-17(2)35-25(34)26(24,15-27(16,28)29)23-11-12-32-33-23/h3-12,14,16-17,21,24H,15H2,1-2H3,(H,32,33)/b10-9+/t16-,17+,21-,24-,26-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at PAR-1 in HEK293 cells incubated for 30 mins followed by Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2 substrate addition by calcium-5 ...


ACS Med Chem Lett 7: 881-883 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00327
BindingDB Entry DOI: 10.7270/Q2GQ70RQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50197614
PNG
(CHEMBL3939323 | US10322140, Example 12)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1cc[nH]n1 |r|
Show InChI InChI=1S/C27H24F2N4O2/c1-16-21(10-9-20-8-7-19(14-31-20)22-6-4-3-5-18(22)13-30)24-17(2)35-25(34)26(24,15-27(16,28)29)23-11-12-32-33-23/h3-12,14,16-17,21,24H,15H2,1-2H3,(H,32,33)/b10-9+/t16-,17+,21-,24-,26-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



AstraZeneca



Assay Description
Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2G44SMF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230745
PNG
(US9340530, 29b)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnnn3C)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1S/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-32-33-34(22)3/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
PDB

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n/an/a 1.10n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230692
PNG
(US9340530, 26)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3ncon3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1S/C26H24ClF2N3O3/c1-15-19(10-9-18-8-7-17(12-30-18)20-5-3-4-6-21(20)27)23-16(2)35-24(33)25(23,13-26(15,28)29)11-22-31-14-34-32-22/h3-10,12,14-16,19,23H,11,13H2,1-2H3/b10-9+/t15-,16+,19-,23?,25+/m0/s1
PDB

KEGG

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230688
PNG
(US9340530, 23a | US9340530, 23b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1ncco1 |r|
Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-36-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1
PDB

KEGG

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230684
PNG
(US9340530, 21a | US9340530, 21b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1
PDB

KEGG

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230682
PNG
(US9340530, 20a | US9340530, 20b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cscn1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)36-26(35)27(24,14-28(16,29)30)25(34)23-13-37-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
PDB

KEGG

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230742
PNG
(US9340530, 77)
Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)C12 |r|
Show InChI InChI=1S/C26H27F2N3O2/c1-15-5-4-6-21(22(15)11-29)18-7-8-19(31-12-18)9-10-20-16(2)26(27,28)13-25(14-30)23(20)17(3)33-24(25)32/h4-10,12,16-17,20,23H,13-14,30H2,1-3H3/b10-9+/t16-,17+,20-,23?,25-/m0/s1
PDB

KEGG

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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM398052
PNG
(2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(5-amino-1,3,...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(N)o1 |r|
Show InChI InChI=1S/C27H25F2N5O3/c1-14-5-4-6-20(21(14)11-30)17-7-8-18(32-12-17)9-10-19-15(2)27(28,29)13-26(23-33-34-25(31)37-23)22(19)16(3)36-24(26)35/h4-10,12,15-16,19,22H,13H2,1-3H3,(H2,31,34)/b10-9+/t15-,16+,19-,22-,26+/m0/s1
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n/an/a 1.22n/an/an/an/an/an/a



AstraZeneca



Assay Description
Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2G44SMF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230708
PNG
(US9340530, 43)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cncs1 |r|
Show InChI InChI=1S/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-33-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-14-22-13-32-16-37-22/h3-10,12-13,16-18,23,25,34H,14-15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/m0/s1
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM398050
PNG
(2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 6,6-difluoro-3,5...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1n[nH]c(=O)o1 |r|
PDB

KEGG

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n/an/a 1.34n/an/an/an/an/an/a



AstraZeneca



Assay Description
Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2G44SMF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230698
PNG
(US9340530, 32)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)n1cc(C)nn1 |r|
Show InChI InChI=1S/C27H25F2N5O2/c1-16-14-34(33-32-16)26-15-27(28,29)17(2)22(24(26)18(3)36-25(26)35)11-10-21-9-8-20(13-31-21)23-7-5-4-6-19(23)12-30/h4-11,13-14,17-18,22,24H,15H2,1-3H3/b11-10+/t17?,18-,22+,24?,26+/m1/s1
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230743
PNG
(US9340530, 78)
Show SMILES C[C@H]1NC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C24H23F2N3O/c1-14-19(22-15(2)29-23(30)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3,(H,29,30)/b10-9+/t14-,15+,19-,21?,22?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230709
PNG
(US9340530, 44)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1cscn1 |r|
Show InChI InChI=1S/C28H26F2N4O2S/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)36-26(35)27(25,15-28(17,29)30)34-13-22-14-37-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17-,18+,23-,25-,27-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230660
PNG
(US9340530, 1)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C24H22F2N2O2/c1-14-19(22-15(2)30-23(29)21(22)11-24(14,25)26)10-9-18-8-7-17(13-28-18)20-6-4-3-5-16(20)12-27/h3-10,13-15,19,21-22H,11H2,1-2H3/b10-9+/t14-,15+,19-,21?,22?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM286479
PNG
(US9518064, Example 98)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Show InChI InChI=1S/C28H24N6O5S/c1-33(2)26(35)17-7-5-16(6-8-17)25-29-10-9-18(30-25)15-38-22-11-19(36-3)12-23-20(22)13-24(39-23)21-14-34-27(31-21)40-28(32-34)37-4/h5-14H,15H2,1-4H3
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n/an/a 1.67n/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 1


(Homo sapiens (Human))
BDBM230727
PNG
(US9340530, 62)
Show SMILES [H][C@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H26F3N3O3/c1-18-25(14-13-24-12-9-22(16-36-24)26-6-4-3-5-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-10-23(32)11-8-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b14-13+/t18-,19-,25+,27-,30+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM286481
PNG
(US9518064, Example 100)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C26H21N5O5S/c1-32-17-6-4-15(5-7-17)24-27-9-8-16(28-24)14-35-21-10-18(33-2)11-22-19(21)12-23(36-22)20-13-31-25(29-20)37-26(30-31)34-3/h4-13H,14H2,1-3H3
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n/an/a 1.80n/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 1


(Homo sapiens (Human))
BDBM230686
PNG
(US9340530, 22a | US9340530, 22b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r|
Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50585035
PNG
(CHEMBL5084411)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human PAR-1 expressed in HEK293 cells assessed as reduction in TRAP induced calcium signal at 3 uM by FLIPR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02048
BindingDB Entry DOI: 10.7270/Q2514342
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230670
PNG
(US9340530, 8)
Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C24H22F2N2O3/c1-14-19(21-15(2)31-22(29)23(21,30)13-24(14,25)26)10-9-18-8-7-17(12-28-18)20-6-4-3-5-16(20)11-27/h3-10,12,14-15,19,21,30H,13H2,1-2H3/b10-9+/t14-,15+,19-,21?,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM398061
PNG
(2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(5-cyclopropy...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)C1CC1 |r|
Show InChI InChI=1S/C30H28F2N4O3/c1-16-5-4-6-23(24(16)13-33)20-9-10-21(34-14-20)11-12-22-17(2)30(31,32)15-29(25(22)18(3)38-28(29)37)27-36-35-26(39-27)19-7-8-19/h4-6,9-12,14,17-19,22,25H,7-8,15H2,1-3H3/b12-11+/t17-,18+,22-,25-,29+/m0/s1
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n/an/a 2.07n/an/an/an/an/an/a



AstraZeneca



Assay Description
Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine a...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2G44SMF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230695
PNG
(US9340530, 29a)
Show SMILES C[C@H]1OC(=O)[C@]2(Cc3nnn(C)n3)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1S/C26H26ClF2N5O2/c1-15-19(11-10-18-9-8-17(13-30-18)20-6-4-5-7-21(20)27)23-16(2)36-24(35)25(23,14-26(15,28)29)12-22-31-33-34(3)32-22/h4-11,13,15-16,19,23H,12,14H2,1-3H3/b11-10+/t15-,16+,19-,23?,25+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230704
PNG
(US9340530, 39)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1nccs1 |r|
Show InChI InChI=1S/C28H26F2N4O2S/c1-17-22(10-9-21-8-7-20(14-33-21)23-6-4-3-5-19(23)13-31)25-18(2)36-26(35)27(25,16-28(17,29)30)34-15-24-32-11-12-37-24/h3-12,14,17-18,22,25,34H,15-16H2,1-2H3/b10-9+/t17?,18-,22+,25?,27+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230686
PNG
(US9340530, 22a | US9340530, 22b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1cocn1 |r|
Show InChI InChI=1S/C28H25F2N3O4/c1-16-21(10-9-20-8-7-19(12-32-20)22-6-4-3-5-18(22)11-31)24-17(2)37-26(35)27(24,14-28(16,29)30)25(34)23-13-36-15-33-23/h3-10,12-13,15-17,21,24-25,34H,14H2,1-2H3/b10-9+/t16?,17-,21+,24?,25?,27-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230741
PNG
(US9340530, 76)
Show SMILES C[C@H]1OC(=O)[C@]2(CN)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C25H25F2N3O2/c1-15-20(22-16(2)32-23(31)24(22,14-29)13-25(15,26)27)10-9-19-8-7-18(12-30-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22H,13-14,29H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230728
PNG
(US9340530, 63)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H27F2N3O3/c1-19-25(15-14-24-13-12-23(17-35-24)26-11-7-6-10-22(26)16-34)27-20(2)39-29(38)30(27,18-31(19,32)33)36-28(37)21-8-4-3-5-9-21/h3-15,17,19-20,25,27H,18H2,1-2H3,(H,36,37)/b15-14+/t19-,20+,25-,27-,30-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230707
PNG
(US9340530, 42)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1cocn1 |r|
Show InChI InChI=1S/C28H26F2N4O3/c1-17-23(10-9-21-8-7-20(12-32-21)24-6-4-3-5-19(24)11-31)25-18(2)37-26(35)27(25,15-28(17,29)30)34-13-22-14-36-16-33-22/h3-10,12,14,16-18,23,25,34H,13,15H2,1-2H3/b10-9+/t17?,18-,23+,25?,27+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230684
PNG
(US9340530, 21a | US9340530, 21b)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)C(O)c1nccs1 |r|
Show InChI InChI=1S/C28H25F2N3O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)36-26(35)27(23,15-28(16,29)30)24(34)25-32-11-12-37-25/h3-12,14,16-17,21,23-24,34H,15H2,1-2H3/b10-9+/t16?,17-,21+,23?,24?,27-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230737
PNG
(US9340530, 72)
Show SMILES CO[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C25H24F2N2O3/c1-15-20(22-16(2)32-23(30)24(22,31-3)14-25(15,26)27)11-10-19-9-8-18(13-29-19)21-7-5-4-6-17(21)12-28/h4-11,13,15-16,20,22H,14H2,1-3H3/b11-10+/t15-,16+,20-,22-,24-/m0/s1
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US Patent
n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230666
PNG
(US9340530, 4)
Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)C12 |r|
Show InChI InChI=1S/C23H22ClF2NO2/c1-13-17(21-14(2)29-22(28)19(21)11-23(13,25)26)10-9-16-8-7-15(12-27-16)18-5-3-4-6-20(18)24/h3-10,12-14,17,19,21H,11H2,1-2H3/b10-9+/t13-,14+,17-,19?,21?/m0/s1
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230677
PNG
(US9340530, 15)
Show SMILES C[C@H]1OC(=O)[C@]2(CO)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12 |r|
Show InChI InChI=1S/C25H24F2N2O3/c1-15-20(22-16(2)32-23(31)24(22,14-30)13-25(15,26)27)10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22,30H,13-14H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230715
PNG
(US9340530, 50)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCC1CC1 |r|
Show InChI InChI=1S/C28H29F2N3O2/c1-17-23(12-11-22-10-9-21(15-32-22)24-6-4-3-5-20(24)13-31)25-18(2)35-26(34)27(25,16-28(17,29)30)33-14-19-7-8-19/h3-6,9-12,15,17-19,23,25,33H,7-8,14,16H2,1-2H3/b12-11+/t17-,18+,23-,25-,27-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230730
PNG
(US9340530, 65)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C32H26F2N4O3/c1-19-26(13-12-25-11-10-24(17-37-25)27-9-4-3-7-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-8-5-6-21(14-22)15-35/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b13-12+/t19-,20+,26-,28-,31-/m0/s1
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230722
PNG
(US9340530, 57)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1nccs1 |r|
Show InChI InChI=1S/C28H24F2N4O3S/c1-16-21(10-9-20-8-7-19(14-33-20)22-6-4-3-5-18(22)13-31)23-17(2)37-26(36)27(23,15-28(16,29)30)34-24(35)25-32-11-12-38-25/h3-12,14,16-17,21,23H,15H2,1-2H3,(H,34,35)/b10-9+/t16-,17+,21-,23-,27-/m0/s1
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US Patent
n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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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US Patent
n/an/a 2.86n/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 1


(Homo sapiens (Human))
BDBM230729
PNG
(US9340530, 64)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C32H26F2N4O3/c1-19-26(14-13-25-12-11-24(17-37-25)27-6-4-3-5-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-9-7-21(15-35)8-10-22/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b14-13+/t19-,20+,26-,28-,31-/m0/s1
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US Patent
n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM286478
PNG
(6-(4-((2-(2-fluoropyridin-4-yl)pyrimidin-4-yl)meth...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3ccnc(F)c3)cc(OC)cc2o1
Show InChI InChI=1S/C24H17FN6O4S/c1-32-15-8-18(34-12-14-4-6-27-22(28-14)13-3-5-26-21(25)7-13)16-10-20(35-19(16)9-15)17-11-31-23(29-17)36-24(30-31)33-2/h3-11H,12H2,1-2H3
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n/an/a 2.97n/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 1


(Homo sapiens (Human))
BDBM230723
PNG
(US9340530, 58)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C31H26F3N3O3/c1-18-25(13-12-24-11-10-22(16-36-24)26-9-4-3-6-21(26)15-35)27-19(2)40-29(39)30(27,17-31(18,33)34)37-28(38)20-7-5-8-23(32)14-20/h3-14,16,18-19,25,27H,17H2,1-2H3,(H,37,38)/b13-12+/t18-,19+,25-,27-,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM230713
PNG
(US9340530, 48)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NCc1nccn1C |r|
Show InChI InChI=1S/C29H29F2N5O2/c1-18-23(11-10-22-9-8-21(15-34-22)24-7-5-4-6-20(24)14-32)26-19(2)38-27(37)28(26,17-29(18,30)31)35-16-25-33-12-13-36(25)3/h4-13,15,18-19,23,26,35H,16-17H2,1-3H3/b11-10+/t18-,19+,23-,26-,28-/m0/s1
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US Patent
n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...


US Patent US9340530 (2016)


BindingDB Entry DOI: 10.7270/Q2K35SJH
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50585030
PNG
(CHEMBL5091232)
Show SMILES [H][C@@]12C[C@H](C)[C@@H](C)[C@H](c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human PAR-1 expressed in HEK293 cells assessed as reduction in TRAP induced calcium signal at 3 uM by FLIPR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02048
BindingDB Entry DOI: 10.7270/Q2514342
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50585037
PNG
(CHEMBL5085562)
Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@]1(O)CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1cccc(C)c1C#N |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human PAR-1 expressed in HEK293 cells assessed as reduction in TRAP induced calcium signal at 3 uM by FLIPR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02048
BindingDB Entry DOI: 10.7270/Q2514342
More data for this
Ligand-Target Pair
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