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PubMed code 26005518

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)
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
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 9.70E+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)


Article DOI: 10.1021/acsmedchemlett.5b00147
BindingDB Entry DOI: 10.7270/Q27W6DX3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%