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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'flynn' and Initial = 'an'   
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))
BDBM50339244
PNG
(2-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1csc(-[#7])n1)-[#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/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 (Human))
BDBM50339245
PNG
(6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1ccc(-[#7])nc1)-[#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/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 (Human))
BDBM50339246
PNG
(CHEMBL1689558 | allyl(3S,6S,12S,15S,18S)-6-sec-but...)
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](=O)-[#8]-[#6]-[#6]=[#6])-[#6](-[#7])=O |r|
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 (Human))
BDBM50339246
PNG
(CHEMBL1689558 | allyl(3S,6S,12S,15S,18S)-6-sec-but...)
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](=O)-[#8]-[#6]-[#6]=[#6])-[#6](-[#7])=O |r|
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 (Human))
BDBM50339245
PNG
(6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1ccc(-[#7])nc1)-[#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/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 (Human))
BDBM50339247
PNG
(6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1cccc(-[#7])n1)-[#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/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 (Human))
BDBM50339248
PNG
(4-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1ccc(-[#7])cc1)-[#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/C33H56N10O6/c1-7-20(6)27(43-31(48)25(16-19(4)5)42-29(46)21-10-12-22(34)13-11-21)32(49)39-17-26(44)40-23(9-8-14-38-33(36)37)30(47)41-24(28(35)45)15-18(2)3/h10-13,18-20,23-25,27H,7-9,14-17,34H2,1-6H3,(H2,35,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,36,37,38)/t20-,23-,24-,25-,27-/m0/s1
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n/an/an/an/a 6.59E+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 (Human))
BDBM50339244
PNG
(2-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoy...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1csc(-[#7])n1)-[#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/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