BindingDB logo
myBDB logout

PubMed code 20873792

Compile data set for download or QSAR
Found 16 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))		BDBM50417178
PNG
(CHEMBL1270720)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CCc3ccccc23)CC1 |r|
Show InChI InChI=1S/C32H44N4O4/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/h7-8,11-12,14,18,22-23,26,28H,3-6,9-10,13,15-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 receptor in human HT-29 cells assessed as inhibition 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 (Human))		BDBM50329487
PNG
(5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4morpholin-1-yl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C31H43N5O6/c1-3-21(2)28(31(40)33-24-11-9-23(10-12-24)20-27(37)36-15-17-41-18-16-36)35-29(38)25(19-22-7-5-4-6-8-22)34-30(39)26-13-14-32-42-26/h9-14,21-22,25,28H,3-8,15-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,38)/t21-,25-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 receptor in human HT-29 cells assessed as inhibition 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 (Human))		BDBM50329493
PNG
(5-Isoxazoyl-Cha-Ile-(piperidin-4-yl)-(4-[aminometh...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC(C1)C(=O)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-15-7-10-24(20-37)30(40)36-16-12-23(19-32)13-17-36)35-28(38)25(18-22-8-5-4-6-9-22)34-29(39)26-11-14-33-42-26/h11,14,21-25,27H,3-10,12-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24?,25-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.71E+4n/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 (Human))		BDBM50329483
PNG
(2-Furoyl-Cha-Ile-NH2 | CHEMBL1271235)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1)C(N)=O |r|
Show InChI InChI=1S/C20H31N3O4/c1-3-13(2)17(18(21)24)23-19(25)15(12-14-8-5-4-6-9-14)22-20(26)16-10-7-11-27-16/h7,10-11,13-15,17H,3-6,8-9,12H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t13-,15-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>5.00E+4n/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 (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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 (Human))		BDBM50329490
PNG
(5-Isoxazoyl-Cha-Ile-(4-aminophenyl)-(4-[aminomethy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C32H46N6O5/c1-3-21(2)28(31(41)35-25-11-9-24(10-12-25)32(42)38-17-14-23(20-33)15-18-38)37-29(39)26(19-22-7-5-4-6-8-22)36-30(40)27-13-16-34-43-27/h9-13,16,21-23,26,28H,3-8,14-15,17-20,33H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t21-,26-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>5.00E+4n/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 (Human))		BDBM50329497
PNG
(5-Isoxazoyl-Cha-Ile-(R)-3-amino-1-([S]-1-[4-(amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NC1CCN([C@@H](CC(C)C)C(=O)N2CCC(CN)CC2)C1=O |r|
Show InChI InChI=1S/C35H57N7O6/c1-5-23(4)30(40-31(43)27(20-24-9-7-6-8-10-24)39-32(44)29-11-15-37-48-29)33(45)38-26-14-18-42(34(26)46)28(19-22(2)3)35(47)41-16-12-25(21-36)13-17-41/h11,15,22-28,30H,5-10,12-14,16-21,36H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t23-,26?,27-,28-,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.26E+4n/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 (Human))		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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 (Human))		BDBM50329484
PNG
(2-Pyrazoyl-Cha-Ile-NH2 | CHEMBL1270927)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(N)=O |r|
Show InChI InChI=1S/C20H31N5O3/c1-3-13(2)17(18(21)26)25-19(27)15(11-14-7-5-4-6-8-14)24-20(28)16-12-22-9-10-23-16/h9-10,12-15,17H,3-8,11H2,1-2H3,(H2,21,26)(H,24,28)(H,25,27)/t13-,15-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 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 (Human))		BDBM50329486
PNG
(4-(2-Methyloxazoyl)-Cha-Ile-NH2 | CHEMBL1271236)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1coc(C)n1)C(N)=O |r|
Show InChI InChI=1S/C20H32N4O4/c1-4-12(2)17(18(21)25)24-19(26)15(10-14-8-6-5-7-9-14)23-20(27)16-11-28-13(3)22-16/h11-12,14-15,17H,4-10H2,1-3H3,(H2,21,25)(H,23,27)(H,24,26)/t12-,15-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 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 (Human))		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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 (Human))		BDBM50329495
PNG
(5-Isoxazoyl-Cha-Ile-(piperidin-2-yl)-(4-[aminometh...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCCC1C(=O)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-16-8-7-11-25(37)30(40)36-17-13-23(20-32)14-18-36)35-28(38)24(19-22-9-5-4-6-10-22)34-29(39)26-12-15-33-42-26/h12,15,21-25,27H,3-11,13-14,16-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,25?,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 7.94E+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 (Human))		BDBM50329496
PNG
(5-Isoxazoyl-Cha-Ile-(3R,6S)-6-amino-3-(4-[aminomet...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CC2SCC(N2C(=O)C1)C(=O)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C32H49N7O6S/c1-3-20(2)28(36-29(41)23(15-21-7-5-4-6-8-21)35-30(42)25-9-12-34-45-25)32(44)38-17-26(40)39-24(19-46-27(39)18-38)31(43)37-13-10-22(16-33)11-14-37/h9,12,20-24,27-28H,3-8,10-11,13-19,33H2,1-2H3,(H,35,42)(H,36,41)/t20-,23-,24?,27?,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.31E+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 (Human))		BDBM50329489
PNG
(5-Isoxazoyl-Cha-Ile-(piperidin-3-yl)-(4-[aminometh...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(CC1)C(=O)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-17-12-24(13-18-37)30(40)36-15-10-23(20-32)11-16-36)35-28(38)25(19-22-7-5-4-6-8-22)34-29(39)26-9-14-33-42-26/h9,14,21-25,27H,3-8,10-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,25-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.26E+4n/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 (Human))		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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 (Human))		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 |r|
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
* indicates data uncertainty>20%