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PubMed code 26725028

Compile data set for download or QSAR
Found 11 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))		BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |r|
Show InChI InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |r|
Show InChI InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440868
PNG
(CHEMBL2431617)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |r,c:35|
Show InChI InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50138043
PNG
(CHEMBL3752235)
Show SMILES CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC |r|
Show InChI InChI=1S/C30H44N4O5/c1-5-20(3)27(30(37)31-19-23-14-10-11-15-25(23)38-21(4)6-2)34-28(35)24(18-22-12-8-7-9-13-22)33-29(36)26-16-17-32-39-26/h10-11,14-17,20-22,24,27H,5-9,12-13,18-19H2,1-4H3,(H,31,37)(H,33,36)(H,34,35)/t20-,21?,24-,27-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50138043
PNG
(CHEMBL3752235)
Show SMILES CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC |r|
Show InChI InChI=1S/C30H44N4O5/c1-5-20(3)27(30(37)31-19-23-14-10-11-15-25(23)38-21(4)6-2)34-28(35)24(18-22-12-8-7-9-13-22)33-29(36)26-16-17-32-39-26/h10-11,14-17,20-22,24,27H,5-9,12-13,18-19H2,1-4H3,(H,31,37)(H,33,36)(H,34,35)/t20-,21?,24-,27-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440868
PNG
(CHEMBL2431617)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |r,c:35|
Show InChI InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |r|
Show InChI InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced ca2+ release preincubated for 15 mins measured after 1 hr ...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |r|
Show InChI InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced ca2+ release preincubated for 15 mins measured after 1 hr ...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC |r|
Show InChI InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of europium-labeled 2f-LIGRLO-NH2 from human PAR2 expressed in CHO cells after 1 to 2 hrs

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440868
PNG
(CHEMBL2431617)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |r,c:35|
Show InChI InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced ca2+ release preincubated for 15 mins measured after 1 hr ...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))		BDBM50440868
PNG
(CHEMBL2431617)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |r,c:35|
Show InChI InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced ca2+ release preincubated for 15 mins measured after 1 hr ...

Bioorg Med Chem Lett 26: 986-91 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.048
BindingDB Entry DOI: 10.7270/Q2PG1TKK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%