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Compile Data Set for Download or QSAR

Found 145 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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
BDBM50412711
PNG
(CHEMBL459723)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1cccc(Br)c1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/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)/t16-,17-/m0/s1
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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)
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=1S/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)/t20-,21+/m0/s1
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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)
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)
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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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)
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)
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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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)
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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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)
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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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)
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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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)
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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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)
BDBM50412712
PNG
(CHEMBL459509)
Show SMILES Brc1ccc2CCC(=NNC(=O)[C@H]3[C@@H](CNC3=O)c3ccccc3)c2c1
Show InChI InChI=1S/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)/t16-,18-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
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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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)
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=1S/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)
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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)
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=1S/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-/m0/s1
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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)
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=1S/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)
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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)
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=1S/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)
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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)
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=1S/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)
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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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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)
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)
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=1S/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-/m0/s1
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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)
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=1S/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-/m0/s1
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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
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440876
PNG
(CHEMBL396183)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)C(CCC\[NH+]=C(\N)[NH-])NC(=O)CNC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(N)CO)C(C)CC)C(N)=O
Show InChI InChI=1S/C38H64N12O10/c1-7-21(5)30(32(40)53)48-36(57)28(17-23-11-13-24(14-12-23)50(59)60)47-34(55)26(10-9-15-43-38(41)42)45-29(52)18-44-37(58)31(22(6)8-2)49-35(56)27(16-20(3)4)46-33(54)25(39)19-51/h11-14,20-22,25-28,30-31,51H,7-10,15-19,39H2,1-6H3,(H12,40,41,42,43,44,45,46,47,48,49,52,53,54,55,56,57,58)
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n/an/an/an/a 400n/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)
BDBM50440877
PNG
(CHEMBL397820)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C38H65N11O9/c1-7-21(5)30(32(40)53)48-36(57)28(17-23-11-13-24(51)14-12-23)47-34(55)26(10-9-15-43-38(41)42)45-29(52)18-44-37(58)31(22(6)8-2)49-35(56)27(16-20(3)4)46-33(54)25(39)19-50/h11-14,20-22,25-28,30-31,50-51H,7-10,15-19,39H2,1-6H3,(H2,40,53)(H,44,58)(H,45,52)(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H4,41,42,43)/t21-,22-,25-,26-,27-,28-,30-,31-/m0/s1
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n/an/an/an/a 400n/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)
BDBM50203290
PNG
(CHEMBL3896632)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
Show InChI InChI=1S/C32H42N4O6/c1-3-21(2)28(31(40)36-17-14-32(15-18-36)20-25(37)23-11-7-8-12-26(23)41-32)35-29(38)24(19-22-9-5-4-6-10-22)34-30(39)27-13-16-33-42-27/h7-8,11-13,16,21-22,24,28H,3-6,9-10,14-15,17-20H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,28-/m0/s1
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n/an/an/an/a 700n/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 incubated for 30 mins measured for 60 secs by Flu...


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440878
PNG
(CHEMBL438676)
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)[C@@H](N)CO)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C35H67N11O8/c1-9-20(7)27(29(37)49)45-32(52)25(15-19(5)6)44-31(51)23(12-11-13-40-35(38)39)42-26(48)16-41-34(54)28(21(8)10-2)46-33(53)24(14-18(3)4)43-30(50)22(36)17-47/h18-25,27-28,47H,9-17,36H2,1-8H3,(H2,37,49)(H,41,54)(H,42,48)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H4,38,39,40)/t20-,21-,22-,23-,24-,25-,27-,28-/m0/s1
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n/an/an/an/a 700n/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)
BDBM50203297
PNG
(CHEMBL3956750)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C31H40N4O6/c1-3-20(2)26(29(38)35-17-14-31(15-18-35)23-12-8-7-11-22(23)30(39)40-31)34-27(36)24(19-21-9-5-4-6-10-21)33-28(37)25-13-16-32-41-25/h7-8,11-13,16,20-21,24,26H,3-6,9-10,14-15,17-19H2,1-2H3,(H,33,37)(H,34,36)/t20-,24-,26-/m0/s1
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n/an/an/an/a 700n/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 incubated for 30 mins measured for 60 secs by Flu...


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50203294
PNG
(CHEMBL3947297)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C1OC1c1ccccc21
Show InChI InChI=1S/C32H42N4O5/c1-3-20(2)26(31(39)36-17-14-32(15-18-36)23-12-8-7-11-22(23)27-28(32)40-27)35-29(37)24(19-21-9-5-4-6-10-21)34-30(38)25-13-16-33-41-25/h7-8,11-13,16,20-21,24,26-28H,3-6,9-10,14-15,17-19H2,1-2H3,(H,34,38)(H,35,37)/t20-,24-,26-,27?,28?/m0/s1
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n/an/an/an/a 700n/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 incubated for 30 mins measured for 60 secs by Flu...


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/an/an/a 840n/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 by in vitro physiological response assay


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)
BDBM50329492
PNG
(5-Isoxazoyl-Cha-Ile-(4-[aminomethyl]phenyl)-(4-[am...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccc(cc1)C(=O)N1CCC(CN)CC1
Show InChI InChI=1S/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-7-5-4-6-8-23)37-31(41)28-13-16-36-44-28)32(42)35-21-25-9-11-26(12-10-25)33(43)39-17-14-24(20-34)15-18-39/h9-13,16,22-24,27,29H,3-8,14-15,17-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22-,27-,29-/m0/s1
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n/an/an/an/a 1.00E+3n/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)
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=1S/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-/m0/s1
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n/an/an/an/a 1.77E+3n/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 by in vitro physiological response assay


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)
BDBM50329494
PNG
(5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1cccc(c1)C(=O)N1CCC(CN)CC1
Show InChI InChI=1S/C32H46N6O5/c1-3-21(2)28(31(41)35-25-11-7-10-24(19-25)32(42)38-16-13-23(20-33)14-17-38)37-29(39)26(18-22-8-5-4-6-9-22)36-30(40)27-12-15-34-43-27/h7,10-12,15,19,21-23,26,28H,3-6,8-9,13-14,16-18,20,33H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t21-,26-,28-/m0/s1
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n/an/an/an/a 2.00E+3n/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)
BDBM50440863
PNG
(CHEMBL2431716)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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n/an/an/an/a 2.00E+3n/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 ERK1/2 phosphorylation incubated for 10 mins measured after 2 hrs


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440863
PNG
(CHEMBL2431716)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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n/an/an/an/a 2.20E+3n/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 ERK1/2 phosphorylation incubated for 10 mins measured after 2 hrs


ACS Med Chem Lett 7: 1179-1184 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00306
BindingDB Entry DOI: 10.7270/Q2PN97MR
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50412713
PNG
(CHEMBL493704)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccc(Br)s1
Show InChI InChI=1S/C17H16BrN3O2S/c1-10(13-7-8-14(18)24-13)20-21-17(23)15-12(9-19-16(15)22)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,19,22)(H,21,23)/t12-,15-/m0/s1
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n/an/an/an/a 2.51E+3n/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)
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=1S/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-/m0/s1
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n/an/an/an/a 2.60E+3n/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 by in vitro physiological response assay


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)
BDBM50339247
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)c1cccc(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=1S/C32H55N11O6/c1-7-19(6)26(43-30(48)23(15-18(4)5)42-28(46)20-10-8-12-24(33)39-20)31(49)38-16-25(44)40-21(11-9-13-37-32(35)36)29(47)41-22(27(34)45)14-17(2)3/h8,10,12,17-19,21-23,26H,7,9,11,13-16H2,1-6H3,(H2,33,39)(H2,34,45)(H,38,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,37)/t19-,21-,22-,23-,26-/m0/s1
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n/an/an/an/a 3.50E+3n/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 by in vitro physiological response assay


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)
BDBM50329485
PNG
(5-Isoxazoyl-Cha-Ile-NH2 | CHEMBL1270823)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(N)=O
Show InChI InChI=1S/C19H30N4O4/c1-3-12(2)16(17(20)24)23-18(25)14(11-13-7-5-4-6-8-13)22-19(26)15-9-10-21-27-15/h9-10,12-14,16H,3-8,11H2,1-2H3,(H2,20,24)(H,22,26)(H,23,25)/t12-,14-,16-/m0/s1
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n/an/an/an/a>4.00E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 receptor in HEK293 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)
BDBM85517
PNG
(CAS_171436-38-7 | SL-NH2 | SLIGRL-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)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=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1
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n/an/an/an/a 4.20E+3n/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
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