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Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50440869
PNG
(CHEMBL2431727)
Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45-/m0/s1
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600n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]2-furoyl-LIGRL-NH2 from human PAR2 expressed in human NCTC-2544 cells by scintillation counting analysis


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50134199
PNG
(CHEMBL3735057)
Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45+/s2
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627n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50134200
PNG
(CHEMBL3735405)
Show SMILES NCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C42H46Cl2N8O4/c43-34-14-9-15-35(44)33(34)27-52-26-29(25-51-20-7-8-21-51)32-23-31(16-17-38(32)52)48-42(56)46-24-39(53)49-36(18-19-45)40(54)50-37(22-28-10-3-1-4-11-28)41(55)47-30-12-5-2-6-13-30/h1-6,9-17,23,26,36-37H,7-8,18-22,24-25,27,45H2,(H,47,55)(H,49,53)(H,50,54)(H2,46,48,56)/t36-,37+/s2
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1.94E+3n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a 2n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091326
PNG
(CHEMBL3582248)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O3/c1-17(2)20-14-21(18-8-10-19(28)11-9-18)30-33-15-22(29-23(20)33)24(34)32-13-12-31(16-27(32,6)7)25(35)36-26(3,4)5/h8-11,14-15,17H,12-13,16H2,1-7H3
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n/an/a 2n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091327
PNG
(CHEMBL3582251)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1
Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3
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n/an/a 4.20n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091327
PNG
(CHEMBL3582251)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1
Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3
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n/an/a 4.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091326
PNG
(CHEMBL3582248)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O3/c1-17(2)20-14-21(18-8-10-19(28)11-9-18)30-33-15-22(29-23(20)33)24(34)32-13-12-31(16-27(32,6)7)25(35)36-26(3,4)5/h8-11,14-15,17H,12-13,16H2,1-7H3
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50241049
PNG
(CHEMBL463763 | Triptolide, 1 | triptolide)
Show SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
Show InChI InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR2 expressed in human A549 cells assessed as inhibition of 2f-LIGRLO-NH2-induced NFkappaB activation by luciferase rep...


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50241049
PNG
(CHEMBL463763 | Triptolide, 1 | triptolide)
Show SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
Show InChI InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR2 expressed in human A549 cells coexpressing TACR1 assessed as inhibition of substance P-induced IL-8 production by E...


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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/a 100n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-furoyl-LIGRL-NH2 from human PAR2 expressed in human NCTC-2544 cells after 60 mins by scintillation counting analysis


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440858
PNG
(CHEMBL2431721)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C99H179N29O31S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-37-75(134)113-59(35-29-47-109-98(105)106)82(143)125-73(55-132)95(156)127-71(53-130)93(154)111-57(4)80(141)114-66(42-49-160-6)89(150)123-69(51-78(139)140)91(152)119-65(39-41-77(137)138)88(149)122-68(50-74(104)133)90(151)126-72(54-131)94(155)120-64(38-40-76(135)136)87(148)117-61(32-22-26-44-101)83(144)115-60(31-21-25-43-100)84(145)118-63(36-30-48-110-99(107)108)85(146)116-62(33-23-27-45-102)86(147)124-70(52-129)92(153)112-58(5)81(142)128-79(56(3)8-2)96(157)121-67(97(158)159)34-24-28-46-103/h56-73,79,129-132H,7-55,100-103H2,1-6H3,(H2,104,133)(H,111,154)(H,112,153)(H,113,134)(H,114,141)(H,115,144)(H,116,146)(H,117,148)(H,118,145)(H,119,152)(H,120,155)(H,121,157)(H,122,149)(H,123,150)(H,124,147)(H,125,143)(H,126,151)(H,127,156)(H,128,142)(H,135,136)(H,137,138)(H,139,140)(H,158,159)(H4,105,106,109)(H4,107,108,110)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human neutrophils assessed as inhibition of chemotactic migration of cells towards trypsin/SLIGRL-NH2


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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 400n/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 intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a>500n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091328
PNG
(CHEMBL3582250)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN([C@@H](C)C1)C(=O)Cc1ccsc1)-c1ccc(F)cc1
Show InChI InChI=1/C27H28FN5O2S/c1-17(2)22-13-23(20-4-6-21(28)7-5-20)30-33-15-24(29-26(22)33)27(35)31-9-10-32(18(3)14-31)25(34)12-19-8-11-36-16-19/h4-8,11,13,15-18H,9-10,12,14H2,1-3H3/t18-/s2
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n/an/a>500n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimul...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50134198
PNG
(CHEMBL1684609)
Show SMILES CCCCCNc1nc(NCc2ccco2)c2cc(F)ccc2n1
Show InChI InChI=1S/C18H21FN4O/c1-2-3-4-9-20-18-22-16-8-7-13(19)11-15(16)17(23-18)21-12-14-6-5-10-24-14/h5-8,10-11H,2-4,9,12H2,1H3,(H2,20,21,22,23)
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n/an/a 690n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440863
PNG
(CHEMBL2431716)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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n/an/a 700n/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 intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440861
PNG
(CHEMBL2431719)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C119H218N38O33S2/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-44-90(162)139-71(40-32-55-133-116(125)126)98(172)149-81(50-60-192-9)107(181)151-83(61-67(3)4)108(182)146-77(43-35-58-136-119(131)132)103(177)154-88(66-160)113(187)156-86(64-158)111(185)138-69(6)95(169)140-80(49-59-191-8)106(180)153-85(63-93(167)168)110(184)147-79(46-48-92(165)166)105(179)152-84(62-89(124)161)109(183)155-87(65-159)112(186)148-78(45-47-91(163)164)104(178)143-74(38-26-30-53-122)99(173)141-73(37-25-29-52-121)101(175)145-76(42-34-57-135-118(129)130)102(176)142-72(36-24-28-51-120)100(174)144-75(41-33-56-134-117(127)128)97(171)137-70(7)96(170)157-94(68(5)11-2)114(188)150-82(115(189)190)39-27-31-54-123/h67-88,94,158-160H,10-66,120-123H2,1-9H3,(H2,124,161)(H,137,171)(H,138,185)(H,139,162)(H,140,169)(H,141,173)(H,142,176)(H,143,178)(H,144,174)(H,145,175)(H,146,182)(H,147,184)(H,148,186)(H,149,172)(H,150,188)(H,151,181)(H,152,179)(H,153,180)(H,154,177)(H,155,183)(H,156,187)(H,157,170)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,125,126,133)(H4,127,128,134)(H4,129,130,135)(H4,131,132,136)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,94-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR2 expressed in African green monkey COS7 cells assessed as inhibition of SLIGKV-NH2-induced inositol triphosphate pro...


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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+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 agonist-induced calcium mobilization


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50138043
PNG
(CHEMBL3752235)
Show SMILES CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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+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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440869
PNG
(CHEMBL2431727)
Show SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2n(Cc3c(Cl)cccc3Cl)cc(CN3CCCC3)c2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human PAR2 expressed in human NCTC-2544 cells assessed as inhibition of SLIGKV-NH2-induced NFkappaB activation preincubated fo...


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50138043
PNG
(CHEMBL3752235)
Show SMILES CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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 intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50417178
PNG
(CHEMBL1270720)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CCc3ccccc23)CC1
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
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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 agonist-induced calcium mobilization


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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 2.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin)


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50134197
PNG
(CHEMBL3735493)
Show SMILES Cc1ccoc1CNc1nc(Oc2cc(Cl)cc(Cl)c2)nc2ccc(F)cc12
Show InChI InChI=1S/C20H14Cl2FN3O2/c1-11-4-5-27-18(11)10-24-19-16-9-14(23)2-3-17(16)25-20(26-19)28-15-7-12(21)6-13(22)8-15/h2-9H,10H2,1H3,(H,24,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091325
PNG
(CHEMBL3582249)
Show SMILES CCOC(=O)[C@H]1CCCN([C@@H]1C)C(=O)c1cn2nc(cc(c2n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1/C23H22F4N4O3/c1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3/t13-,16+/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440863
PNG
(CHEMBL2431716)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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n/an/a 3.60E+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 intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091325
PNG
(CHEMBL3582249)
Show SMILES CCOC(=O)[C@H]1CCCN([C@@H]1C)C(=O)c1cn2nc(cc(c2n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1/C23H22F4N4O3/c1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3/t13-,16+/s2
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n/an/a 4.40E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimul...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440862
PNG
(CHEMBL2431717)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091325
PNG
(CHEMBL3582249)
Show SMILES CCOC(=O)[C@H]1CCCN([C@@H]1C)C(=O)c1cn2nc(cc(c2n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1/C23H22F4N4O3/c1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3/t13-,16+/s2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091325
PNG
(CHEMBL3582249)
Show SMILES CCOC(=O)[C@H]1CCCN([C@@H]1C)C(=O)c1cn2nc(cc(c2n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1/C23H22F4N4O3/c1-3-34-22(33)16-5-4-10-30(13(16)2)21(32)19-12-31-20(28-19)17(23(25,26)27)11-18(29-31)14-6-8-15(24)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3/t13-,16+/s2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50417178
PNG
(CHEMBL1270720)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CCc3ccccc23)CC1
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
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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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50134196
PNG
(CHEMBL3736126)
Show SMILES COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1
Show InChI InChI=1S/C21H17Cl2N3O3/c1-12-7-8-28-19(12)11-24-20-15-10-14(27-2)4-5-17(15)25-21(26-20)29-18-6-3-13(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...


Bioorg Med Chem 23: 7717-27 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440861
PNG
(CHEMBL2431719)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C119H218N38O33S2/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-44-90(162)139-71(40-32-55-133-116(125)126)98(172)149-81(50-60-192-9)107(181)151-83(61-67(3)4)108(182)146-77(43-35-58-136-119(131)132)103(177)154-88(66-160)113(187)156-86(64-158)111(185)138-69(6)95(169)140-80(49-59-191-8)106(180)153-85(63-93(167)168)110(184)147-79(46-48-92(165)166)105(179)152-84(62-89(124)161)109(183)155-87(65-159)112(186)148-78(45-47-91(163)164)104(178)143-74(38-26-30-53-122)99(173)141-73(37-25-29-52-121)101(175)145-76(42-34-57-135-118(129)130)102(176)142-72(36-24-28-51-120)100(174)144-75(41-33-56-134-117(127)128)97(171)137-70(7)96(170)157-94(68(5)11-2)114(188)150-82(115(189)190)39-27-31-54-123/h67-88,94,158-160H,10-66,120-123H2,1-9H3,(H2,124,161)(H,137,171)(H,138,185)(H,139,162)(H,140,169)(H,141,173)(H,142,176)(H,143,178)(H,144,174)(H,145,175)(H,146,182)(H,147,184)(H,148,186)(H,149,172)(H,150,188)(H,151,181)(H,152,179)(H,153,180)(H,154,177)(H,155,183)(H,156,187)(H,157,170)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,125,126,133)(H4,127,128,134)(H4,129,130,135)(H4,131,132,136)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,94-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Partial agonist activity at PAR2 in human SW620 cells assessed as increase in intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50440866
PNG
(CHEMBL2431619)
Show SMILES COc1ccc(Br)c(c1)C(=O)Nn1c(nc2ccccc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15BrFN3O3/c1-30-15-10-11-18(23)17(12-15)21(28)26-27-20(13-6-8-14(24)9-7-13)25-19-5-3-2-4-16(19)22(27)29/h2-12H,1H3,(H,26,28)
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n/an/a 3.40E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at PAR2 in human HCT15 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium release


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091327
PNG
(CHEMBL3582251)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1
Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091327
PNG
(CHEMBL3582251)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1
Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimul...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
BDBM50091326
PNG
(CHEMBL3582248)
Show SMILES CC(C)c1cc(nn2cc(nc12)C(=O)N1CCN(CC1(C)C)C(=O)OC(C)(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O3/c1-17(2)20-14-21(18-8-10-19(28)11-9-18)30-33-15-22(29-23(20)33)24(34)32-13-12-31(16-27(32,6)7)25(35)36-26(3,4)5/h8-11,14-15,17H,12-13,16H2,1-7H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...


ACS Med Chem Lett 6: 487-8 (2015)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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
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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 in human HT-29 cells assessed as inhibition of agonist-induced calcium mobilization


J Med Chem 56: 7477-97 (2013)

More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens)
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
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
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UniProtKB/SwissProt

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AffyNet 
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)

More data for this
Ligand-Target Pair
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