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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'teobald' and Initial = 'bj'   
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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50423388
PNG
(CHEMBL251024)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H31N7O8S/c1-3-5-8-23-18-15-19(26-22(25-18)38-9-4-2)29(28-27-15)20-17(34)16(33)12(37-20)6-7-13(30)24-11(21(35)36)10-14(31)32/h6-7,11-12,16-17,20,33-34H,3-5,8-10H2,1-2H3,(H,24,30)(H,31,32)(H,35,36)(H,23,25,26)/b7-6+/t11-,12+,16+,17+,20+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50423387
PNG
(CHEMBL437204)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1C[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H33N7O7S/c1-3-5-8-24-20-17-21(27-23(26-20)38-9-4-2)30(29-28-17)14-10-12(18(34)19(14)35)6-7-15(31)25-13(22(36)37)11-16(32)33/h6-7,12-14,18-19,34-35H,3-5,8-11H2,1-2H3,(H,25,31)(H,32,33)(H,36,37)(H,24,26,27)/b7-6+/t12-,13-,14+,18+,19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50423389
PNG
(CHEMBL250832)
Show SMILES CCCCNc1nc(SCCC)nc2n(cnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H32N6O8S/c1-3-5-8-24-19-16-20(28-23(27-19)38-9-4-2)29(11-25-16)21-18(34)17(33)13(37-21)6-7-14(30)26-12(22(35)36)10-15(31)32/h6-7,11-13,17-18,21,33-34H,3-5,8-10H2,1-2H3,(H,26,30)(H,31,32)(H,35,36)(H,24,27,28)/b7-6+/t12-,13+,17+,18+,21+/m0/s1
PDB

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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Bioorg Med Chem Lett 17: 6013-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.057
BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429561
PNG
(US10550089, Example 35 | US10995072, Example 36)
Show SMILES CCc1ccc2c(F)ccc([C@@H](O)c3ncc[nH]3)n12 |r|
PDB

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n/an/a 200n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429560
PNG
(US10550089, Example 34 | US10995072, Example 35)
Show SMILES CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429560
PNG
(US10550089, Example 34 | US10995072, Example 35)
Show SMILES CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429560
PNG
(US10550089, Example 34 | US10995072, Example 35)
Show SMILES CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429568
PNG
(US10550089, Example 42 | US10995072, Example 42)
Show SMILES CCc1coc2c(F)ccc([C@H](O)c3ncc[nH]3)c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429568
PNG
(US10550089, Example 42 | US10995072, Example 42)
Show SMILES CCc1coc2c(F)ccc([C@H](O)c3ncc[nH]3)c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429576
PNG
(US10550089, Example 50 | US10995072, Example 51)
Show SMILES CCc1csc2c(F)ccc([C@@H](O)c3ncc[nH]3)c12 |r|
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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429576
PNG
(US10550089, Example 50 | US10995072, Example 51)
Show SMILES CCc1csc2c(F)ccc([C@@H](O)c3ncc[nH]3)c12 |r|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429569
PNG
(US10550089, Example 43 | US10550089, Example 44 | ...)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)c2occ(C3CC3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM495079
PNG
(US10995072, Example 45)
Show SMILES O[C@H](c1ncc[nH]1)c1ccc(F)c2occ(C3CC3)c12 |r|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429566
PNG
(US10550089, Example 40 | US10995072, Example 63)
Show SMILES CCc1coc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429566
PNG
(US10550089, Example 40 | US10995072, Example 63)
Show SMILES CCc1coc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429569
PNG
(US10550089, Example 43 | US10550089, Example 44 | ...)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)c2occ(C3CC3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429569
PNG
(US10550089, Example 43 | US10550089, Example 44 | ...)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)c2occ(C3CC3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429544
PNG
(US10550089, Example 18 | US10995072, Example 18)
Show SMILES O[C@@H](c1ncc[nH]1)c1ccc(F)cc1N1CC=CC1 |r,c:18|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429544
PNG
(US10550089, Example 18 | US10995072, Example 18)
Show SMILES O[C@@H](c1ncc[nH]1)c1ccc(F)cc1N1CC=CC1 |r,c:18|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429585
PNG
(US10550089, Example 59 | US10995072, Example 59)
Show SMILES Cc1cccc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429586
PNG
(US10550089, Example 60 | US10995072, Example 60)
Show SMILES CCc1ccn2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429540
PNG
(US10550089, Example 14 | US10995072, Example 64)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)cc1N1CCCC1
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429542
PNG
(US10550089, Example 16)
Show SMILES O[C@H](c1ncc[nH]1)c1ccc(F)cc1N1CCCC1 |r|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429577
PNG
(US10550089, Example 51)
Show SMILES CCc1csc2c(F)ccc([C@H](O)c3ncc[nH]3)c12 |r|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429563
PNG
(US10550089, Example 37 | US10995072, Example 37)
Show SMILES Cc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429563
PNG
(US10550089, Example 37 | US10995072, Example 37)
Show SMILES Cc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429578
PNG
(US10550089, Example 52 | US10995072, Example 52)
Show SMILES Cc1coc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 970n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429543
PNG
(US10550089, Example 17 | US10995072, Example 17)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)cc1N1CC=CC1 |c:18|
PDB

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n/an/a 1.05E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429543
PNG
(US10550089, Example 17 | US10995072, Example 17)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)cc1N1CC=CC1 |c:18|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429566
PNG
(US10550089, Example 40 | US10995072, Example 63)
Show SMILES CCc1coc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 1.23E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429588
PNG
(US10550089, Example 62 | US10995072, Example 62)
Show SMILES Cn1ncc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50274115
PNG
(CHEMBL4127372 | US10550089, Example 2 | US10995072...)
Show SMILES CCCc1cc(F)ccc1[C@H](O)c1ncc[nH]1 |r|
Show InChI InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
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US Patent
n/an/a 1.29E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429516
PNG
(US10550089, Example 3 | US10995072, Example 2)
Show SMILES CCCc1cc(F)ccc1[C@@H](O)c1ncc[nH]1 |r|
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429580
PNG
(US10550089, Example 54 | US10995072, Example 56)
Show SMILES Cn1ccc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 1.39E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429580
PNG
(US10550089, Example 54 | US10995072, Example 56)
Show SMILES Cn1ccc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429579
PNG
(US10550089, Example 53)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)c2oc3ccccc3c12
PDB

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US Patent
n/an/a 1.45E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429580
PNG
(US10550089, Example 54 | US10995072, Example 56)
Show SMILES Cn1ccc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 1.45E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429576
PNG
(US10550089, Example 50 | US10995072, Example 51)
Show SMILES CCc1csc2c(F)ccc([C@@H](O)c3ncc[nH]3)c12 |r|
PDB

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n/an/a 1.50E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429576
PNG
(US10550089, Example 50 | US10995072, Example 51)
Show SMILES CCc1csc2c(F)ccc([C@@H](O)c3ncc[nH]3)c12 |r|
PDB

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n/an/a 1.50E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429540
PNG
(US10550089, Example 14 | US10995072, Example 64)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)cc1N1CCCC1
PDB

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US Patent
n/an/a 1.52E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429540
PNG
(US10550089, Example 14 | US10995072, Example 64)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)cc1N1CCCC1
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429561
PNG
(US10550089, Example 35 | US10995072, Example 36)
Show SMILES CCc1ccc2c(F)ccc([C@@H](O)c3ncc[nH]3)n12 |r|
PDB

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n/an/a 1.61E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429560
PNG
(US10550089, Example 34 | US10995072, Example 35)
Show SMILES CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12
PDB

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Heptares Therapeutics Limited

US Patent


Assay Description
Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429578
PNG
(US10550089, Example 52 | US10995072, Example 52)
Show SMILES Cc1coc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 1.63E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM495086
PNG
(US10995072, Example 53)
Show SMILES Fc1ccc(C(=O)c2ncc[nH]2)c2c3ccccc3oc12
Show InChI InChI=1S/C16H9FN2O2/c17-11-6-5-10(14(20)16-18-7-8-19-16)13-9-3-1-2-4-12(9)21-15(11)13/h1-8H,(H,18,19)
PDB

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n/an/a 1.63E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429583
PNG
(US10550089, Example 57 | US10995072, Example 57)
Show SMILES CCn1ccc2c(F)ccc(C(O)c3ncc[nH]3)c12
PDB

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n/an/a 1.65E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429582
PNG
(US10550089, Example 56)
Show SMILES Cn1ccc2c(F)ccc([C@H](O)c3ncc[nH]3)c12 |r|
PDB

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n/an/a 1.65E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429536
PNG
(US10550089, Example 10 | US10995072, Example 11)
Show SMILES CCCc1c(F)c(F)ccc1C(O)c1ncc[nH]1
PDB

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n/an/a 1.66E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10550089 (2020)


BindingDB Entry DOI: 10.7270/Q2SB484T
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM429536
PNG
(US10550089, Example 10 | US10995072, Example 11)
Show SMILES CCCc1c(F)c(F)ccc1C(O)c1ncc[nH]1
PDB

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n/an/a 1.66E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM495094
PNG
(US10995072, Example 61)
Show SMILES OC(c1ncc[nH]1)c1ccc(F)n2ccc(Cl)c12
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of ...


US Patent US10995072 (2021)


BindingDB Entry DOI: 10.7270/Q2D79FJQ
More data for this
Ligand-Target Pair
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