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PubMed code 18720984

Compile data set for download or QSAR
Found 14 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))
BDBM50412718
PNG
(CHEMBL509819)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1ccco1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
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 (Human))
BDBM50412713
PNG
(CHEMBL493704)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccc(Br)s1 |r,w:2.2|
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 (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 |r,w:2.2|
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 (Human))
BDBM50412708
PNG
(AC-264613 | CHEMBL494502)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 |r,w:2.2|
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 (Human))
BDBM85517
PNG
(CAS_171436-38-7 | SL-NH2 | SLIGRL-NH2)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
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 1.00E+4n/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))
BDBM50412716
PNG
(AC-98170 | CHEMBL494303)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccs1 |r,w:2.2|
Show InChI InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/t13-,15-/m0/s1
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n/an/an/an/a 6.31E+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 (Human))
BDBM50412711
PNG
(CHEMBL459723)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1cccc(Br)c1)c1cccc(Br)c1 |r,w:2.2|
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 (Human))
BDBM50412712
PNG
(CHEMBL459509)
Show SMILES Brc1ccc2CCC(=NNC(=O)[C@H]3[C@@H](CNC3=O)c3ccccc3)c2c1 |r,w:8.8|
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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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))
BDBM50412715
PNG
(CHEMBL494503)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccc(Br)cc1 |r,w:2.2|
Show InChI InChI=1S/C19H18BrN3O2/c1-12(13-7-9-15(20)10-8-13)22-23-19(25)17-16(11-21-18(17)24)14-5-3-2-4-6-14/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 7.94E+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 (Human))
BDBM50412717
PNG
(AC-55541 | CHEMBL493076)
Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1 |w:2.2|
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



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 |r,w:2.2|
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>1.00E+4n/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))
BDBM50412710
PNG
(CHEMBL459724)
Show SMILES CN(N=C(C)c1cccc(Br)c1)C(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1 |r,w:2.1|
Show InChI InChI=1S/C20H20BrN3O2/c1-13(15-9-6-10-16(21)11-15)23-24(2)20(26)18-17(12-22-19(18)25)14-7-4-3-5-8-14/h3-11,17-18H,12H2,1-2H3,(H,22,25)/t17-,18-/m0/s1
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n/an/an/an/a 6.31E+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 (Human))
BDBM50412714
PNG
(CHEMBL493494)
Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccccc1Br |r,w:2.2|
Show InChI InChI=1S/C19H18BrN3O2/c1-12(14-9-5-6-10-16(14)20)22-23-19(25)17-15(11-21-18(17)24)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,21,24)(H,23,25)/t15-,17-/m0/s1
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n/an/an/an/a 1.00E+4n/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))
BDBM50412709
PNG
(CHEMBL461639)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#7]-1-[#6]-[#6@H](-[#6@H](-[#6](=O)-[#7]-[#7]=[#6](-[#6])-c2cccc(Br)c2)-[#6]1=O)-c1ccccc1 |r,w:11.10|
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
* indicates data uncertainty>20%