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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


Citation and Details
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
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PubMed
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
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PubMed
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 ...


Citation and Details
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 ...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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
PDB

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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


Citation and Details
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...


Citation and Details
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


Citation and Details
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
PDB

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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)
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...


Citation and Details
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
PDB

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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


Citation and Details
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


Citation and Details
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
PDB

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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 ...


Citation and Details
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


Citation and Details
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...


Citation and Details
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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PubMed
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...


Citation and Details
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...


Citation and Details
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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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


Citation and Details
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
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PubMed
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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 receptor in human HT-29 cells assessed as inhibition of intracellular calcium release


Citation and Details
More data for this
Ligand-Target Pair
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