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PubMed code 26819675

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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))
BDBM85084
PNG
(CAS_190383-13-2 | SLIGKV-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](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C28H54N8O7/c1-7-17(6)23(36-27(42)20(12-15(2)3)34-25(40)18(30)14-37)28(43)32-13-21(38)33-19(10-8-9-11-29)26(41)35-22(16(4)5)24(31)39/h15-20,22-23,37H,7-14,29-30H2,1-6H3,(H2,31,39)(H,32,43)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t17-,18-,19-,20-,22-,23-/m0/s1
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n/an/an/an/a 3.16E+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 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
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=1S/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-/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 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
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=1S/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-/m0/s1
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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
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=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 316n/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
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=1S/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-/m0/s1
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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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233746
PNG
(CHEMBL4075046)
Show SMILES NC(CC1CCCCC1)C(=O)NC(C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C25H46N8O4/c26-18(14-16-8-3-1-4-9-16)23(36)33-21(17-10-5-2-6-11-17)24(37)31-15-20(34)32-19(22(27)35)12-7-13-30-25(28)29/h16-19,21H,1-15,26H2,(H2,27,35)(H,31,37)(H,32,34)(H,33,36)(H4,28,29,30)/t18?,19-,21?/m0/s1
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n/an/an/an/a<1.00E+5n/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
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=1S/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?/m0/s1
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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
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=1S/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
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=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 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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233750
PNG
(CHEMBL4086537)
Show SMILES NC(C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C16H31N7O3/c17-13(10-5-2-1-3-6-10)15(26)22-9-12(24)23-11(14(18)25)7-4-8-21-16(19)20/h10-11,13H,1-9,17H2,(H2,18,25)(H,22,26)(H,23,24)(H4,19,20,21)/t11-,13?/m0/s1
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n/an/an/an/a>1.00E+5n/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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233669
PNG
(CHEMBL4065387)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(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 398n/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
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=1S/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-/m0/s1
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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
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=1S/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-/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 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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM85084
PNG
(CAS_190383-13-2 | SLIGKV-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](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C28H54N8O7/c1-7-17(6)23(36-27(42)20(12-15(2)3)34-25(40)18(30)14-37)28(43)32-13-21(38)33-19(10-8-9-11-29)26(41)35-22(16(4)5)24(31)39/h15-20,22-23,37H,7-14,29-30H2,1-6H3,(H2,31,39)(H,32,43)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t17-,18-,19-,20-,22-,23-/m0/s1
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n/an/an/an/a 3.00E+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 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
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=1S/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-/m0/s1
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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
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=1S/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?/m0/s1
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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
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=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 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
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=1S/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?/m0/s1
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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
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=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 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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233746
PNG
(CHEMBL4075046)
Show SMILES NC(CC1CCCCC1)C(=O)NC(C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C25H46N8O4/c26-18(14-16-8-3-1-4-9-16)23(36)33-21(17-10-5-2-6-11-17)24(37)31-15-20(34)32-19(22(27)35)12-7-13-30-25(28)29/h16-19,21H,1-15,26H2,(H2,27,35)(H,31,37)(H,32,34)(H,33,36)(H4,28,29,30)/t18?,19-,21?/m0/s1
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n/an/an/an/a>1.00E+5n/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
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=1S/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-/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 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
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=1S/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-/m0/s1
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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
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=1S/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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233750
PNG
(CHEMBL4086537)
Show SMILES NC(C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C16H31N7O3/c17-13(10-5-2-1-3-6-10)15(26)22-9-12(24)23-11(14(18)25)7-4-8-21-16(19)20/h10-11,13H,1-9,17H2,(H2,18,25)(H,22,26)(H,23,24)(H4,19,20,21)/t11-,13?/m0/s1
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n/an/an/an/a<1.00E+5n/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
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=1S/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?/m0/s1
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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
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233669
PNG
(CHEMBL4065387)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(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 400n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%