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Compile Data Set for Download or QSAR

Found 175 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 2'   
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 2


(Homo sapiens (Human))
BDBM50440872
PNG
(CHEMBL2431724)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCOCCOCCNCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1/C57H105N13O11S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-48(72)81-34-33-80-32-31-79-30-29-62-27-22-24-42(50(58)73)66-52(75)44(35-39(3)4)67-51(74)43(25-23-28-63-56(59)60)65-47(71)37-64-55(78)49(41(7)9-2)70-53(76)45(36-40(5)6)68-54(77)46-38-82-57(61)69-46/h38-45,49,62H,8-37H2,1-7H3,(H2,58,73)(H2,61,69)(H,64,78)(H,65,71)(H,66,75)(H,67,74)(H,68,77)(H,70,76)(H4,59,60,63)/t41-,42-,43-,44-,45-,49-/s2
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n/an/an/an/a 4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in intracellular calcium level


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440872
PNG
(CHEMBL2431724)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCCOCCOCCNCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1/C57H105N13O11S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-48(72)81-34-33-80-32-31-79-30-29-62-27-22-24-42(50(58)73)66-52(75)44(35-39(3)4)67-51(74)43(25-23-28-63-56(59)60)65-47(71)37-64-55(78)49(41(7)9-2)70-53(76)45(36-40(5)6)68-54(77)46-38-82-57(61)69-46/h38-45,49,62H,8-37H2,1-7H3,(H2,58,73)(H2,61,69)(H,64,78)(H,65,71)(H,66,75)(H,67,74)(H,68,77)(H,70,76)(H4,59,60,63)/t41-,42-,43-,44-,45-,49-/s2
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n/an/an/an/a 10n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in MAPK level


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233671
PNG
(CHEMBL4100763)
Show SMILES NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1/C23H35N5O5/c24-19(29)14-25-23(32)20(16-9-5-2-6-10-16)28-21(30)17(13-15-7-3-1-4-8-15)27-22(31)18-11-12-26-33-18/h11-12,15-17,20H,1-10,13-14H2,(H2,24,29)(H,25,32)(H,27,31)(H,28,30)
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n/an/an/an/a 18n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233671
PNG
(CHEMBL4100763)
Show SMILES NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1/C23H35N5O5/c24-19(29)14-25-23(32)20(16-9-5-2-6-10-16)28-21(30)17(13-15-7-3-1-4-8-15)27-22(31)18-11-12-26-33-18/h11-12,15-17,20H,1-10,13-14H2,(H2,24,29)(H,25,32)(H,27,31)(H,28,30)
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n/an/an/an/a 20n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440860
PNG
(CHEMBL2431720)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C122H215N37O33S2/c1-10-12-13-14-15-16-17-18-19-20-21-22-26-46-93(164)141-74(42-33-56-135-119(127)128)101(174)151-84(52-61-194-9)110(183)152-85(62-69(3)4)111(184)148-80(45-36-59-138-122(133)134)106(179)156-91(68-162)116(189)158-89(66-160)114(187)140-71(6)98(171)142-83(51-60-193-8)109(182)154-87(65-96(169)170)113(186)149-82(48-50-95(167)168)108(181)153-86(64-92(126)163)112(185)157-90(67-161)115(188)150-81(47-49-94(165)166)107(180)145-77(41-29-32-55-125)102(175)143-76(40-28-31-54-124)104(177)147-79(44-35-58-137-121(131)132)105(178)144-75(39-27-30-53-123)103(176)146-78(43-34-57-136-120(129)130)100(173)139-72(7)99(172)159-97(70(5)11-2)117(190)155-88(118(191)192)63-73-37-24-23-25-38-73/h23-25,37-38,69-72,74-91,97,160-162H,10-22,26-36,39-68,123-125H2,1-9H3,(H2,126,163)(H,139,173)(H,140,187)(H,141,164)(H,142,171)(H,143,175)(H,144,178)(H,145,180)(H,146,176)(H,147,177)(H,148,184)(H,149,186)(H,150,188)(H,151,174)(H,152,183)(H,153,181)(H,154,182)(H,155,190)(H,156,179)(H,157,185)(H,158,189)(H,159,172)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,127,128,135)(H4,129,130,136)(H4,131,132,137)(H4,133,134,138)/t70-,71-,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-/s2
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n/an/an/an/a 25n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in African green monkey COS7 cells assessed as stimulation of inositol triphosphate production


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412711
PNG
(CHEMBL459723)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1cccc(Br)c1)c1cccc(Br)c1
Show InChI InChI=1/C19H17Br2N3O2/c1-11(12-4-2-6-14(20)8-12)23-24-19(26)17-16(10-22-18(17)25)13-5-3-7-15(21)9-13/h2-9,16-17H,10H2,1H3,(H,22,25)(H,24,26)/b23-11+/t16-,17-/s2
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n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412718
PNG
(CHEMBL509819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)44-23(30(38)49)11-8-14-37/h10,13,16,20-26,29H,7-9,11-12,14-15,17-19,37H2,1-6H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-/s2
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n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/s2
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n/an/an/an/a 30n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of cell proliferation after 5 days by beta-galactosidase assay


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/s2
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n/an/an/an/a 30n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of phosphatidylinositol hydrolysis after 45 mins by scintillation c...


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/s2
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n/an/an/an/a 30n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as increase in intracellular calcium level by bioluminescence assay


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/s2
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n/an/an/an/a 31.6n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/s2
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n/an/an/an/a 31.6n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233672
PNG
(CHEMBL4095478)
Show SMILES NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1/C21H32N4O4/c22-19(26)18(15-9-5-2-6-10-15)25-20(27)16(13-14-7-3-1-4-8-14)24-21(28)17-11-12-23-29-17/h11-12,14-16,18H,1-10,13H2,(H2,22,26)(H,24,28)(H,25,27)/t16-,18-/s2
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n/an/an/an/a 32n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233672
PNG
(CHEMBL4095478)
Show SMILES NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1/C21H32N4O4/c22-19(26)18(15-9-5-2-6-10-15)25-20(27)16(13-14-7-3-1-4-8-14)24-21(28)17-11-12-23-29-17/h11-12,14-16,18H,1-10,13H2,(H2,22,26)(H,24,28)(H,25,27)/t16-,18-/s2
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n/an/an/an/a 33n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412709
PNG
(CHEMBL461639)
Show SMILES CC(C)=CN1C[C@H]([C@H](C(=O)NN=C(C)c2cccc(Br)c2)C1=O)c1ccccc1
Show InChI InChI=1/C23H24BrN3O2/c1-15(2)13-27-14-20(17-8-5-4-6-9-17)21(23(27)29)22(28)26-25-16(3)18-10-7-11-19(24)12-18/h4-13,20-21H,14H2,1-3H3,(H,26,28)/b25-16+/t20-,21+/s2
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n/an/an/an/a 50.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233749
PNG
(CHEMBL4073996)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1)C(N)=O
Show InChI InChI=1/C29H47N9O6/c30-25(40)20(12-7-14-33-29(31)32)36-23(39)17-34-28(43)24(19-10-5-2-6-11-19)38-26(41)21(16-18-8-3-1-4-9-18)37-27(42)22-13-15-35-44-22/h13,15,18-21,24H,1-12,14,16-17H2,(H2,30,40)(H,34,43)(H,36,39)(H,37,42)(H,38,41)(H4,31,32,33)/t20-,21?,24?/s2
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n/an/an/an/a 62n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233749
PNG
(CHEMBL4073996)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1)C(N)=O
Show InChI InChI=1/C29H47N9O6/c30-25(40)20(12-7-14-33-29(31)32)36-23(39)17-34-28(43)24(19-10-5-2-6-11-19)38-26(41)21(16-18-8-3-1-4-9-18)37-27(42)22-13-15-35-44-22/h13,15,18-21,24H,1-12,14,16-17H2,(H2,30,40)(H,34,43)(H,36,39)(H,37,42)(H,38,41)(H4,31,32,33)/t20-,21?,24?/s2
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n/an/an/an/a 63n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233670
PNG
(CHEMBL4093061)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1)C(N)=O
Show InChI InChI=1/C35H58N10O7/c1-21(2)18-25(30(36)47)43-31(48)24(14-9-16-39-35(37)38)42-28(46)20-40-34(51)29(23-12-7-4-8-13-23)45-32(49)26(19-22-10-5-3-6-11-22)44-33(50)27-15-17-41-52-27/h15,17,21-26,29H,3-14,16,18-20H2,1-2H3,(H2,36,47)(H,40,51)(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H4,37,38,39)/t24-,25-,26?,29?/s2
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n/an/an/an/a 79n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233748
PNG
(CHEMBL4092076)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C27H45N9O6/c1-3-16(2)22(26(41)32-15-21(37)34-18(23(28)38)10-7-12-31-27(29)30)36-24(39)19(14-17-8-5-4-6-9-17)35-25(40)20-11-13-33-42-20/h11,13,16-19,22H,3-10,12,14-15H2,1-2H3,(H2,28,38)(H,32,41)(H,34,37)(H,35,40)(H,36,39)(H4,29,30,31)/t16-,18-,19?,22-/s2
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n/an/an/an/a 79n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233748
PNG
(CHEMBL4092076)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C27H45N9O6/c1-3-16(2)22(26(41)32-15-21(37)34-18(23(28)38)10-7-12-31-27(29)30)36-24(39)19(14-17-8-5-4-6-9-17)35-25(40)20-11-13-33-42-20/h11,13,16-19,22H,3-10,12,14-15H2,1-2H3,(H2,28,38)(H,32,41)(H,34,37)(H,35,40)(H,36,39)(H4,29,30,31)/t16-,18-,19?,22-/s2
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n/an/an/an/a 80n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233670
PNG
(CHEMBL4093061)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1)C(N)=O
Show InChI InChI=1/C35H58N10O7/c1-21(2)18-25(30(36)47)43-31(48)24(14-9-16-39-35(37)38)42-28(46)20-40-34(51)29(23-12-7-4-8-13-23)45-32(49)26(19-22-10-5-3-6-11-22)44-33(50)27-15-17-41-52-27/h15,17,21-26,29H,3-14,16,18-20H2,1-2H3,(H2,36,47)(H,40,51)(H,42,46)(H,43,48)(H,44,50)(H,45,49)(H4,37,38,39)/t24-,25-,26?,29?/s2
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n/an/an/an/a 80n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233668
PNG
(CHEMBL4071278)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(N)=O
Show InChI InChI=1/C21H33N5O5/c1-3-13(2)18(21(30)23-12-17(22)27)26-19(28)15(11-14-7-5-4-6-8-14)25-20(29)16-9-10-24-31-16/h9-10,13-15,18H,3-8,11-12H2,1-2H3,(H2,22,27)(H,23,30)(H,25,29)(H,26,28)/t13-,15?,18-/s2
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n/an/an/an/a 95n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440850
PNG
(CHEMBL238396)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccno1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C36H63N11O8/c1-9-21(7)28(30(37)49)46-32(51)24(16-19(3)4)44-31(50)23(12-11-14-40-36(38)39)43-27(48)18-41-35(54)29(22(8)10-2)47-33(52)25(17-20(5)6)45-34(53)26-13-15-42-55-26/h13,15,19-25,28-29H,9-12,14,16-18H2,1-8H3,(H2,37,49)(H,41,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440851
PNG
(CHEMBL267729)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C37H64N12O7/c1-9-22(7)29(31(38)51)48-33(53)25(16-20(3)4)46-32(52)24(12-11-13-43-37(39)40)45-28(50)19-44-36(56)30(23(8)10-2)49-34(54)26(17-21(5)6)47-35(55)27-18-41-14-15-42-27/h14-15,18,20-26,29-30H,9-13,16-17,19H2,1-8H3,(H2,38,51)(H,44,56)(H,45,50)(H,46,52)(H,47,55)(H,48,53)(H,49,54)(H4,39,40,43)/t22-,23-,24-,25-,26-,29-,30-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440852
PNG
(CHEMBL414319)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccn1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C38H65N11O7/c1-9-23(7)30(32(39)51)48-35(54)27(18-21(3)4)47-34(53)26(15-13-17-43-38(40)41)45-29(50)20-44-37(56)31(24(8)10-2)49-36(55)28(19-22(5)6)46-33(52)25-14-11-12-16-42-25/h11-12,14,16,21-24,26-28,30-31H,9-10,13,15,17-20H2,1-8H3,(H2,39,51)(H,44,56)(H,45,50)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H4,40,41,43)/t23-,24-,26-,27-,28-,30-,31-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440853
PNG
(CHEMBL236037)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cccnc1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C38H65N11O7/c1-9-23(7)30(32(39)51)48-35(54)28(18-22(5)6)47-34(53)26(14-12-16-43-38(40)41)45-29(50)20-44-37(56)31(24(8)10-2)49-36(55)27(17-21(3)4)46-33(52)25-13-11-15-42-19-25/h11,13,15,19,21-24,26-28,30-31H,9-10,12,14,16-18,20H2,1-8H3,(H2,39,51)(H,44,56)(H,45,50)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H4,40,41,43)/t23-,24-,26-,27-,28-,30-,31-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440854
PNG
(CHEMBL236292)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2o1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C41H66N10O8/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440855
PNG
(CHEMBL236293)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C43H68N10O7/c1-9-26(7)35(37(44)55)52-40(58)33(21-25(5)6)51-39(57)31(16-13-19-47-43(45)46)49-34(54)23-48-42(60)36(27(8)10-2)53-41(59)32(20-24(3)4)50-38(56)30-18-17-28-14-11-12-15-29(28)22-30/h11-12,14-15,17-18,22,24-27,31-33,35-36H,9-10,13,16,19-21,23H2,1-8H3,(H2,44,55)(H,48,60)(H,49,54)(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,31-,32-,33-,35-,36-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233668
PNG
(CHEMBL4071278)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(N)=O
Show InChI InChI=1/C21H33N5O5/c1-3-13(2)18(21(30)23-12-17(22)27)26-19(28)15(11-14-7-5-4-6-8-14)25-20(29)16-9-10-24-31-16/h9-10,13-15,18H,3-8,11-12H2,1-2H3,(H2,22,27)(H,23,30)(H,25,29)(H,26,28)/t13-,15?,18-/s2
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440856
PNG
(CHEMBL398128)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2s1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C41H66N10O7S/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440857
PNG
(CHEMBL392253)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1coc(C)n1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C37H65N11O8/c1-10-21(7)29(31(38)50)47-33(52)25(15-19(3)4)45-32(51)24(13-12-14-41-37(39)40)44-28(49)17-42-36(55)30(22(8)11-2)48-34(53)26(16-20(5)6)46-35(54)27-18-56-23(9)43-27/h18-22,24-26,29-30H,10-17H2,1-9H3,(H2,38,50)(H,42,55)(H,44,49)(H,45,51)(H,46,54)(H,47,52)(H,48,53)(H4,39,40,41)/t21-,22-,24-,25-,26-,29-,30-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412712
PNG
(CHEMBL459509)
Show SMILES Brc1ccc2CCC(=NNC(=O)[C@H]3[C@@H](CNC3=O)c3ccccc3)c2c1
Show InChI InChI=1/C20H18BrN3O2/c21-14-8-6-13-7-9-17(15(13)10-14)23-24-20(26)18-16(11-22-19(18)25)12-4-2-1-3-5-12/h1-6,8,10,16,18H,7,9,11H2,(H,22,25)(H,24,26)/b23-17+/t16-,18-/s2
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n/an/an/an/a 126n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50339246
PNG
(CHEMBL1689558 | allyl(3S,6S,12S,15S,18S)-6-sec-but...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=O)OCC=C)C(N)=O
Show InChI InChI=1/C40H67N11O10/c1-8-18-61-40(59)45-17-10-13-26(33(41)53)48-35(55)28(20-23(3)4)49-34(54)27(14-11-16-44-39(42)43)47-31(52)22-46-38(58)32(25(7)9-2)51-36(56)29(21-24(5)6)50-37(57)30-15-12-19-60-30/h8,12,15,19,23-29,32H,1,9-11,13-14,16-18,20-22H2,2-7H3,(H2,41,53)(H,45,59)(H,46,58)(H,47,52)(H,48,55)(H,49,54)(H,50,57)(H,51,56)(H4,42,43,44)/t25-,26-,27-,28-,29-,32-/s2
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n/an/an/an/a 138n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human 16HBE14o cells assessed as increase in intracellular calcium levels measured every 15 second for 2 hrs by xCelligen...


J Med Chem 54: 1308-13 (2011)


Article DOI: 10.1021/jm1013049
BindingDB Entry DOI: 10.7270/Q2319W6R
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50339244
PNG
(2-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C30H53N11O6S/c1-7-17(6)23(41-26(45)20(12-16(4)5)39-27(46)21-14-48-30(34)40-21)28(47)36-13-22(42)37-18(9-8-10-35-29(32)33)25(44)38-19(24(31)43)11-15(2)3/h14-20,23H,7-13H2,1-6H3,(H2,31,43)(H2,34,40)(H,36,47)(H,37,42)(H,38,44)(H,39,46)(H,41,45)(H4,32,33,35)/t17-,18-,19-,20-,23-/s2
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n/an/an/an/a 142n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human 16HBE14o cells assessed as increase in intracellular calcium levels measured every 15 second for 2 hrs by xCelligen...


J Med Chem 54: 1308-13 (2011)


Article DOI: 10.1021/jm1013049
BindingDB Entry DOI: 10.7270/Q2319W6R
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440873
PNG
(CHEMBL2431723)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1/C40H61N11O10/c1-7-23(5)32(34(41)53)49-37(56)29(20-25-13-15-26(16-14-25)51(59)60)47-35(54)27(11-9-17-44-40(42)43)46-31(52)21-45-39(58)33(24(6)8-2)50-36(55)28(19-22(3)4)48-38(57)30-12-10-18-61-30/h10,12-16,18,22-24,27-29,32-33H,7-9,11,17,19-21H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,57)(H,49,56)(H,50,55)(H4,42,43,44)/t23-,24-,27-,28-,29-,32-,33-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412717
PNG
(AC-55541 | CHEMBL493076)
Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1
Show InChI InChI=1/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of cell proliferation after 5 days by beta-galactosidase assay


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440874
PNG
(CHEMBL398131)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C37H64N10O8/c1-9-22(7)29(31(38)49)46-33(51)25(17-20(3)4)44-32(50)24(13-11-15-41-37(39)40)43-28(48)19-42-36(54)30(23(8)10-2)47-34(52)26(18-21(5)6)45-35(53)27-14-12-16-55-27/h12,14,16,20-26,29-30H,9-11,13,15,17-19H2,1-8H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-,30-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233747
PNG
(CHEMBL4062629)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C33H56N10O7/c1-5-20(4)27(43-30(47)24(17-21-10-7-6-8-11-21)42-31(48)25-13-15-39-50-25)32(49)38-18-26(44)40-22(12-9-14-37-33(35)36)29(46)41-23(28(34)45)16-19(2)3/h13,15,19-24,27H,5-12,14,16-18H2,1-4H3,(H2,34,45)(H,38,49)(H,40,44)(H,41,46)(H,42,48)(H,43,47)(H4,35,36,37)/t20-,22-,23-,24?,27-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233747
PNG
(CHEMBL4062629)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C33H56N10O7/c1-5-20(4)27(43-30(47)24(17-21-10-7-6-8-11-21)42-31(48)25-13-15-39-50-25)32(49)38-18-26(44)40-22(12-9-14-37-33(35)36)29(46)41-23(28(34)45)16-19(2)3/h13,15,19-24,27H,5-12,14,16-18H2,1-4H3,(H2,34,45)(H,38,49)(H,40,44)(H,41,46)(H,42,48)(H,43,47)(H4,35,36,37)/t20-,22-,23-,24?,27-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50329488
PNG
(5-Isoxazoyl-Cha-Ile-(3-[aminomethyl]phenyl)-(4-[am...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(c1)C(=O)N1CCC(CN)CC1
Show InChI InChI=1/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22-,27-,29-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412717
PNG
(AC-55541 | CHEMBL493076)
Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1
Show InChI InChI=1/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
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n/an/an/an/a 200n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay


J Med Chem 51: 5490-3 (2008)


Article DOI: 10.1021/jm800754r
BindingDB Entry DOI: 10.7270/Q290251P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412717
PNG
(AC-55541 | CHEMBL493076)
Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1
Show InChI InChI=1/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as increase in intracellular calcium level by bioluminescence assay


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412717
PNG
(AC-55541 | CHEMBL493076)
Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1
Show InChI InChI=1/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of phosphatidylinositol hydrolysis after 45 mins by scintillation c...


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50329488
PNG
(5-Isoxazoyl-Cha-Ile-(3-[aminomethyl]phenyl)-(4-[am...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(c1)C(=O)N1CCC(CN)CC1
Show InChI InChI=1/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22-,27-,29-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412718
PNG
(CHEMBL509819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)44-23(30(38)49)11-8-14-37/h10,13,16,20-26,29H,7-9,11-12,14-15,17-19,37H2,1-6H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-/s2
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n/an/an/an/a 200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50329488
PNG
(5-Isoxazoyl-Cha-Ile-(3-[aminomethyl]phenyl)-(4-[am...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(c1)C(=O)N1CCC(CN)CC1
Show InChI InChI=1/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22-,27-,29-/s2
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n/an/an/an/a 251n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 receptor in human HT-29 cells assessed as induction of intracellular calcium release


J Med Chem 53: 7428-40 (2010)


Article DOI: 10.1021/jm100984y
BindingDB Entry DOI: 10.7270/Q2W959F7
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440875
PNG
(CHEMBL236704)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C38H63Cl2N11O8/c1-7-20(5)30(32(42)54)50-36(58)28(16-22-11-12-23(39)24(40)15-22)49-34(56)26(10-9-13-45-38(43)44)47-29(53)17-46-37(59)31(21(6)8-2)51-35(57)27(14-19(3)4)48-33(55)25(41)18-52/h11-12,15,19-21,25-28,30-31,52H,7-10,13-14,16-18,41H2,1-6H3,(H2,42,54)(H,46,59)(H,47,53)(H,48,55)(H,49,56)(H,50,58)(H,51,57)(H4,43,44,45)/t20-,21-,25-,26-,27-,28-,30-,31-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50412718
PNG
(CHEMBL509819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)44-23(30(38)49)11-8-14-37/h10,13,16,20-26,29H,7-9,11-12,14-15,17-19,37H2,1-6H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-/s2
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n/an/an/an/a 300n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50339245
PNG
(6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N)nc1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C32H55N11O6/c1-7-19(6)26(43-30(48)23(14-18(4)5)42-28(46)20-10-11-24(33)38-15-20)31(49)39-16-25(44)40-21(9-8-12-37-32(35)36)29(47)41-22(27(34)45)13-17(2)3/h10-11,15,17-19,21-23,26H,7-9,12-14,16H2,1-6H3,(H2,33,38)(H2,34,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,37)/t19-,21-,22-,23-,26-/s2
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n/an/an/an/a 311n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 in human 16HBE14o cells assessed as increase in intracellular calcium levels measured every 15 second for 2 hrs by xCelligen...


J Med Chem 54: 1308-13 (2011)


Article DOI: 10.1021/jm1013049
BindingDB Entry DOI: 10.7270/Q2319W6R
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50329491
PNG
(5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4-[aminomethyl]...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(CC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1/C33H48N6O5/c1-3-22(2)30(38-31(41)27(19-23-7-5-4-6-8-23)37-32(42)28-13-16-35-44-28)33(43)36-26-11-9-24(10-12-26)20-29(40)39-17-14-25(21-34)15-18-39/h9-13,16,22-23,25,27,30H,3-8,14-15,17-21,34H2,1-2H3,(H,36,43)(H,37,42)(H,38,41)/t22-,27-,30-/s2
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n/an/an/an/a 316n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at PAR2 receptor in human HT-29 cells assessed as induction of intracellular calcium release


J Med Chem 53: 7428-40 (2010)


Article DOI: 10.1021/jm100984y
BindingDB Entry DOI: 10.7270/Q2W959F7
More data for this
Ligand-Target Pair
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