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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50043610   
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 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443581
PNG
(CHEMBL3091991)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r|
Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443586
PNG
(CHEMBL3091975)
Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443586
PNG
(CHEMBL3091975)
Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443585
PNG
(CHEMBL3091994)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443589
PNG
(CHEMBL3091992)
Show SMILES CC1(O)C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO/c1-23(26)14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-22,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443597
PNG
(CHEMBL3091982)
Show SMILES COC1(C)C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H28FNO/c1-24(27-2)15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-23H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443582
PNG
(CHEMBL3091989)
Show SMILES CS(=O)(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H27FN2O2S/c1-29(27,28)26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443598
PNG
(CHEMBL3091979)
Show SMILES CC(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H27FN2O/c1-16(28)27-24-14-18-5-2-3-8-22(18)23(24)12-11-21-10-9-19(15-26-21)17-6-4-7-20(25)13-17/h4,6-7,9-13,15,18,22-24H,2-3,5,8,14H2,1H3,(H,27,28)/b12-11+/t18-,22-,23+,24?/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443595
PNG
(CHEMBL3091984)
Show SMILES COC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H26FNO/c1-26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443594
PNG
(CHEMBL3091985)
Show SMILES CC(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H26FNO2/c1-16(27)28-24-14-18-5-2-3-8-22(18)23(24)12-11-21-10-9-19(15-26-21)17-6-4-7-20(25)13-17/h4,6-7,9-13,15,18,22-24H,2-3,5,8,14H2,1H3/b12-11+/t18-,22-,23+,24?/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443584
PNG
(CHEMBL3091980)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443580
PNG
(CHEMBL3091993)
Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13|
Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443600
PNG
(CHEMBL3091976)
Show SMILES CN(C)C(=S)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C25H29FN2OS/c1-28(2)25(30)29-24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-27-21)17-7-5-8-20(26)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443582
PNG
(CHEMBL3091989)
Show SMILES CS(=O)(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H27FN2O2S/c1-29(27,28)26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443583
PNG
(CHEMBL3091981)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11|
Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443581
PNG
(CHEMBL3091991)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r|
Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443602
PNG
(CHEMBL3091973)
Show SMILES OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H24FNO/c23-18-6-3-5-15(12-18)17-8-9-19(24-14-17)10-11-21-20-7-2-1-4-16(20)13-22(21)25/h3,5-6,8-12,14,16,20-22,25H,1-2,4,7,13H2/b11-10+/t16-,20-,21+,22?/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443592
PNG
(CHEMBL3091987)
Show SMILES NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H25FN2/c23-18-6-3-5-15(12-18)17-8-9-19(25-14-17)10-11-21-20-7-2-1-4-16(20)13-22(21)24/h3,5-6,8-12,14,16,20-22H,1-2,4,7,13,24H2/b11-10+/t16-,20-,21+,22?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443590
PNG
(CHEMBL3091990)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@H]2C(C[C@@H]3CCCC[C@H]23)NC(=O)C2CC2)nc1 |r|
Show InChI InChI=1S/C26H29FN2O/c27-21-6-3-5-18(14-21)20-10-11-22(28-16-20)12-13-24-23-7-2-1-4-19(23)15-25(24)29-26(30)17-8-9-17/h3,5-6,10-14,16-17,19,23-25H,1-2,4,7-9,15H2,(H,29,30)/b13-12+/t19-,23-,24+,25?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443603
PNG
(CHEMBL3091974)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@H]2C(C[C@@H]3CCCC[C@H]23)OCc2ccccc2)nc1 |r|
Show InChI InChI=1S/C29H30FNO/c30-25-11-6-10-22(17-25)24-13-14-26(31-19-24)15-16-28-27-12-5-4-9-23(27)18-29(28)32-20-21-7-2-1-3-8-21/h1-3,6-8,10-11,13-17,19,23,27-29H,4-5,9,12,18,20H2/b16-15+/t23-,27-,28+,29?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443593
PNG
(CHEMBL3091986)
Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@H]2C(C[C@@H]3CCCC[C@H]23)OC(=O)Nc2ccccc2)nc1 |r,w:11.11|
Show InChI InChI=1S/C29H29FN2O2/c30-23-9-6-8-20(17-23)22-13-14-24(31-19-22)15-16-27-26-12-5-4-7-21(26)18-28(27)34-29(33)32-25-10-2-1-3-11-25/h1-3,6,8-11,13-17,19,21,26-28H,4-5,7,12,18H2,(H,32,33)/t21-,26-,27+,28?/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443585
PNG
(CHEMBL3091994)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443588
PNG
(CHEMBL3091971)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22+,23-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443601
PNG
(CHEMBL3091977)
Show SMILES COC(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:15.17|
Show InChI InChI=1S/C24H27FN2O2/c1-29-24(28)27-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-26-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3,(H,27,28)/t17-,21-,22+,23?/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443596
PNG
(CHEMBL3091983)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC2=O)nc1 |r|
Show InChI InChI=1S/C22H22FNO/c23-18-6-3-5-15(12-18)17-8-9-19(24-14-17)10-11-21-20-7-2-1-4-16(20)13-22(21)25/h3,5-6,8-12,14,16,20-21H,1-2,4,7,13H2/b11-10+/t16-,20-,21+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443591
PNG
(CHEMBL3091988)
Show SMILES CCOC(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:16.18|
Show InChI InChI=1S/C25H29FN2O2/c1-2-30-25(29)28-24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-27-21)17-7-5-8-20(26)14-17/h5,7-8,10-14,16,18,22-24H,2-4,6,9,15H2,1H3,(H,28,29)/t18-,22-,23+,24?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443587
PNG
(CHEMBL3091972)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443582
PNG
(CHEMBL3091989)
Show SMILES CS(=O)(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H27FN2O2S/c1-29(27,28)26-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443585
PNG
(CHEMBL3091994)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r|
Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23+/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443599
PNG
(CHEMBL3091978)
Show SMILES CC(C)(C)OC(=O)NC1C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:18.20|
Show InChI InChI=1S/C27H33FN2O2/c1-27(2,3)32-26(31)30-25-16-19-7-4-5-10-23(19)24(25)14-13-22-12-11-20(17-29-22)18-8-6-9-21(28)15-18/h6,8-9,11-15,17,19,23-25H,4-5,7,10,16H2,1-3H3,(H,30,31)/t19-,23-,24+,25?/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50443581
PNG
(CHEMBL3091991)
Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r|
Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Korea Research Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followe...


ACS Med Chem Lett 4: 1054-8 (2013)


Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN
More data for this
Ligand-Target Pair