Found 353 hits with Last Name = 'kurowski' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(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 | PDB
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260518
(CHEMBL442649 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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(c2)C#N)C1 |r,w:21.23| Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-24-10-11-25-22(14-24)15-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-21(17-32-23)20-6-4-5-19(13-20)16-31/h4-9,12-13,17-18,22,24-28H,3,10-11,14-15H2,1-2H3,(H,33,35)/t18-,22+,24-,25-,26+,27-,28+/m1/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261116
(CHEMBL453277 | ethyl methyl((1R,3aR,4aR,6R,8aR,9S,...)Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r| Show InChI InChI=1S/C31H35F3N2O4/c1-4-39-30(38)36(3)24-11-13-25-21(15-24)16-27-28(18(2)40-29(27)37)26(25)12-10-23-9-8-20(17-35-23)19-6-5-7-22(14-19)31(32,33)34/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261114
(CHEMBL500551 | Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33(3)24-11-13-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-10-23-9-8-20(17-32-23)19-6-5-7-22(31)14-19/h5-10,12,14,17-18,21,24-28H,4,11,13,15-16H2,1-3H3/b12-10+/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261061
(CHEMBL493633 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES CNC(=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:20.22| Show InChI InChI=1S/C28H32FN3O3/c1-16-26-24(11-8-21-7-6-18(15-31-21)17-4-3-5-20(29)12-17)23-10-9-22(32-28(34)30-2)13-19(23)14-25(26)27(33)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H2,30,32,34)/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261062
(1-ethyl-3-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-...)Show SMILES CCNC(=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/C29H34FN3O3/c1-3-31-29(35)33-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)34)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H2,31,33,35)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446341
(CHEMBL3109581)Show SMILES COC(=O)NC[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/c1-17-27-25(11-9-23-8-7-20(16-31-23)19-4-3-5-22(30)13-19)24-10-6-18(15-32-29(34)35-2)12-21(24)14-26(27)28(33)36-17/h3-5,7-9,11,13,16-18,21,24-27H,6,10,12,14-15H2,1-2H3,(H,32,34)/t17-,18-,21+,24-,25+,26-,27+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020132
(CHEMBL3288437)Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29-/m1/s1 | PDB
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| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261117
(CHEMBL446344 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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(OC)c2)C1 |r,w:21.23| Show InChI InChI=1S/C30H36N2O5/c1-4-36-30(34)32-23-11-12-25-21(14-23)16-27-28(18(2)37-29(27)33)26(25)13-10-22-9-8-20(17-31-22)19-6-5-7-24(15-19)35-3/h5-10,13,15,17-18,21,23,25-28H,4,11-12,14,16H2,1-3H3,(H,32,34)/t18-,21+,23-,25-,26+,27-,28+/m1/s1 | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260520
(CHEMBL458264 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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)-c2cc(F)cc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H32F2N2O4/c1-3-36-29(35)33-23-7-8-24-19(12-23)13-26-27(16(2)37-28(26)34)25(24)9-6-22-5-4-17(15-32-22)18-10-20(30)14-21(31)11-18/h4-6,9-11,14-16,19,23-27H,3,7-8,12-13H2,1-2H3,(H,33,35)/t16-,19+,23-,24-,25+,26-,27+/m1/s1 | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261111
(CHEMBL493983 | methyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES COC(=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:20.22| Show InChI InChI=1S/C28H31FN2O4/c1-16-26-24(11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17)23-10-9-22(31-28(33)34-2)13-19(23)14-25(26)27(32)35-16/h3-8,11-12,15-16,19,22-26H,9-10,13-14H2,1-2H3,(H,31,33)/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261060
(CHEMBL493632 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(C)=O |r| Show InChI InChI=1S/C28H31FN2O3/c1-16-27-25(11-8-22-7-6-19(15-30-22)18-4-3-5-21(29)12-18)24-10-9-23(31-17(2)32)13-20(24)14-26(27)28(33)34-16/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,31,32)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261017
(CHEMBL493792 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)Show SMILES CCC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C29H33FN2O3/c1-3-27(33)32-23-10-11-24-20(14-23)15-26-28(17(2)35-29(26)34)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,28H,3,10-11,14-15H2,1-2H3,(H,32,33)/b12-9+/t17-,20+,23-,24-,25+,26-,28+/m1/s1 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261018
(CHEMBL494618 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NC(=O)C1CC1 |r| Show InChI InChI=1S/C30H33FN2O3/c1-17-28-26(12-9-23-8-7-20(16-32-23)19-3-2-4-22(31)13-19)25-11-10-24(33-29(34)18-5-6-18)14-21(25)15-27(28)30(35)36-17/h2-4,7-9,12-13,16-18,21,24-28H,5-6,10-11,14-15H2,1H3,(H,33,34)/b12-9+/t17-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(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 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of high affinity TRAP form human platelet PAR1 |
Bioorg Med Chem Lett 20: 6676-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.009
BindingDB Entry DOI: 10.7270/Q2KS6RSH |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446342
(CHEMBL3109579)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CO)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C27H30FNO3/c1-16-26-24(23-9-5-17(15-30)11-20(23)13-25(26)27(31)32-16)10-8-22-7-6-19(14-29-22)18-3-2-4-21(28)12-18/h2-4,6-8,10,12,14,16-17,20,23-26,30H,5,9,11,13,15H2,1H3/b10-8+/t16-,17-,20+,23-,24+,25-,26+/m1/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(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 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(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 | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020139
(CHEMBL3288441)Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29+/m1/s1 | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261108
(CHEMBL447996 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NS(C)(=O)=O |r| Show InChI InChI=1S/C28H31F3N2O4S/c1-16-26-24(23-10-9-22(33-38(2,35)36)13-19(23)14-25(26)27(34)37-16)11-8-21-7-6-18(15-32-21)17-4-3-5-20(12-17)28(29,30)31/h3-8,11-12,15-16,19,22-26,33H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260516
(CHEMBL495422 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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)-c2ccccc2F)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-21-11-12-22-19(14-21)15-25-27(17(2)36-28(25)33)24(22)13-10-20-9-8-18(16-31-20)23-6-4-5-7-26(23)30/h4-10,13,16-17,19,21-22,24-25,27H,3,11-12,14-15H2,1-2H3,(H,32,34)/t17-,19+,21-,22-,24+,25-,27+/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260521
(CHEMBL507697 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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(C)c2F)C1 |r,w:21.23| Show InChI InChI=1S/C30H35FN2O4/c1-4-36-30(35)33-22-11-12-23-20(14-22)15-26-27(18(3)37-29(26)34)25(23)13-10-21-9-8-19(16-32-21)24-7-5-6-17(2)28(24)31/h5-10,13,16,18,20,22-23,25-27H,4,11-12,14-15H2,1-3H3,(H,33,35)/t18-,20+,22-,23-,25+,26-,27+/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50260519
(CHEMBL521531 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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(Cl)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33ClN2O4/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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261107
(CHEMBL493975 | N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H31FN2O4S/c1-16-26-24(11-8-21-7-6-18(15-29-21)17-4-3-5-20(28)12-17)23-10-9-22(30-35(2,32)33)13-19(23)14-25(26)27(31)34-16/h3-8,11-12,15-16,19,22-26,30H,9-10,13-14H2,1-2H3/b11-8+/t16-,19+,22-,23-,24+,25-,26+/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446339
(CHEMBL3109583)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(C)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C29H33FN2O3/c1-17-28-26(11-9-24-8-7-21(16-32-24)20-4-3-5-23(30)13-20)25-10-6-19(15-31-18(2)33)12-22(25)14-27(28)29(34)35-17/h3-5,7-9,11,13,16-17,19,22,25-28H,6,10,12,14-15H2,1-2H3,(H,31,33)/b11-9+/t17-,19-,22+,25-,26+,27-,28+/m1/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50329617
(CHEMBL1270636 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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)-c2ccccc2OC)C1 |r,w:21.23| Show InChI InChI=1S/C30H36N2O5/c1-4-36-30(34)32-22-12-13-23-20(15-22)16-26-28(18(2)37-29(26)33)25(23)14-11-21-10-9-19(17-31-21)24-7-5-6-8-27(24)35-3/h5-11,14,17-18,20,22-23,25-26,28H,4,12-13,15-16H2,1-3H3,(H,32,34)/t18-,20+,22-,23-,25+,26-,28+/m1/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of high affinity TRAP form human platelet PAR1 |
Bioorg Med Chem Lett 20: 6676-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.009
BindingDB Entry DOI: 10.7270/Q2KS6RSH |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(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 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446338
(CHEMBL3109584)Show SMILES CCC(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C30H35FN2O3/c1-3-28(34)33-16-19-7-11-25-22(13-19)15-27-29(18(2)36-30(27)35)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-27,29H,3,7,11,13,15-16H2,1-2H3,(H,33,34)/b12-10+/t18-,19-,22+,25-,26+,27-,29+/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446332
(CHEMBL3109590)Show SMILES CCNC(=O)NC[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:22.24| Show InChI InChI=1S/C30H36FN3O3/c1-3-32-30(36)34-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)35)26(25)12-10-24-9-8-21(17-33-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H2,32,34,36)/t18-,19-,22+,25-,26+,27-,28+/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261109
(CHEMBL449425 | ethyl (1R,3aR,4aR,6R,8aR,9S,9aS)-1-...)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(c2)C(F)(F)F)C1 |r,w:21.23| Show InChI InChI=1S/C30H33F3N2O4/c1-3-38-29(37)35-23-10-11-24-20(14-23)15-26-27(17(2)39-28(26)36)25(24)12-9-22-8-7-19(16-34-22)18-5-4-6-21(13-18)30(31,32)33/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,35,37)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446340
(CHEMBL3109582)Show SMILES CCOC(=O)NC[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:22.24| Show InChI InChI=1S/C30H35FN2O4/c1-3-36-30(35)33-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)34)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H,33,35)/t18-,19-,22+,25-,26+,27-,28+/m1/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446335
(CHEMBL3109587)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CCNCC4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C33H40FN3O3/c1-20-31-29(10-8-27-7-6-24(19-36-27)23-3-2-4-26(34)16-23)28-9-5-21(15-25(28)17-30(31)33(39)40-20)18-37-32(38)22-11-13-35-14-12-22/h2-4,6-8,10,16,19-22,25,28-31,35H,5,9,11-15,17-18H2,1H3,(H,37,38)/b10-8+/t20-,21-,25+,28-,29+,30-,31+/m1/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446334
(CHEMBL3109588)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNS(C)(=O)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C28H33FN2O4S/c1-17-27-25(11-9-23-8-7-20(16-30-23)19-4-3-5-22(29)13-19)24-10-6-18(15-31-36(2,33)34)12-21(24)14-26(27)28(32)35-17/h3-5,7-9,11,13,16-18,21,24-27,31H,6,10,12,14-15H2,1-2H3/b11-9+/t17-,18-,21+,24-,25+,26-,27+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446333
(CHEMBL3109589)Show SMILES CCS(=O)(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C29H35FN2O4S/c1-3-37(34,35)32-16-19-7-11-25-22(13-19)15-27-28(18(2)36-29(27)33)26(25)12-10-24-9-8-21(17-31-24)20-5-4-6-23(30)14-20/h4-6,8-10,12,14,17-19,22,25-28,32H,3,7,11,13,15-16H2,1-2H3/b12-10+/t18-,19-,22+,25-,26+,27-,28+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50329616
(CHEMBL1270537 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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)-c2ccccc2C#N)C1 |r,w:21.23| Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-23-11-12-25-21(14-23)15-27-28(18(2)37-29(27)34)26(25)13-10-22-9-8-20(17-32-22)24-7-5-4-6-19(24)16-31/h4-10,13,17-18,21,23,25-28H,3,11-12,14-15H2,1-2H3,(H,33,35)/t18-,21+,23-,25-,26+,27-,28+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of high affinity TRAP form human platelet PAR1 |
Bioorg Med Chem Lett 20: 6676-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.009
BindingDB Entry DOI: 10.7270/Q2KS6RSH |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020129
(CHEMBL3288436)Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261112
(CHEMBL494816 | propyl (1R,3aR,4aR,6R,8aR,9S,9aS)-9...)Show SMILES CCCOC(=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:22.24| Show InChI InChI=1S/C30H35FN2O4/c1-3-13-36-30(35)33-24-10-11-25-21(15-24)16-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-20(17-32-23)19-5-4-6-22(31)14-19/h4-9,12,14,17-18,21,24-28H,3,10-11,13,15-16H2,1-2H3,(H,33,35)/t18-,21+,24-,25-,26+,27-,28+/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50329618
(CHEMBL1270738 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)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)-c2ccccn2)C1 |r,w:21.23| Show InChI InChI=1S/C28H33N3O4/c1-3-34-28(33)31-21-10-11-22-19(14-21)15-24-26(17(2)35-27(24)32)23(22)12-9-20-8-7-18(16-30-20)25-6-4-5-13-29-25/h4-9,12-13,16-17,19,21-24,26H,3,10-11,14-15H2,1-2H3,(H,31,33)/t17-,19+,21-,22-,23+,24-,26+/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of high affinity TRAP form human platelet PAR1 |
Bioorg Med Chem Lett 20: 6676-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.009
BindingDB Entry DOI: 10.7270/Q2KS6RSH |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446344
(CHEMBL3109578)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@]1(O)[C@@H]([C@@H](C)OC1=O)[C@H]2C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:23.26| Show InChI InChI=1S/C29H33FN2O5/c1-3-36-28(34)32-23-10-11-24-20(14-23)15-29(35)26(17(2)37-27(29)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,35H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26+,29+/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446343
(CHEMBL3109580)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CN)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C27H31FN2O2/c1-16-26-24(23-9-5-17(14-29)11-20(23)13-25(26)27(31)32-16)10-8-22-7-6-19(15-30-22)18-3-2-4-21(28)12-18/h2-4,6-8,10,12,15-17,20,23-26H,5,9,11,13-14,29H2,1H3/b10-8+/t16-,17-,20+,23-,24+,25-,26+/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261015
((3R,3aS,4S,4aR,7R,8aR,9aR,E)-7-amino-4-(2-(5-(3-fl...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C26H29FN2O2/c1-15-25-23(22-9-6-20(28)12-18(22)13-24(25)26(30)31-15)10-8-21-7-5-17(14-29-21)16-3-2-4-19(27)11-16/h2-5,7-8,10-11,14-15,18,20,22-25H,6,9,12-13,28H2,1H3/b10-8+/t15-,18+,20-,22-,23+,24-,25+/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020128
(CHEMBL3288435)Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446336
(CHEMBL3109586)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)[C@@H]4CCCN4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C32H38FN3O3/c1-19-30-27(12-10-25-9-8-22(18-35-25)21-4-2-5-24(33)15-21)26-11-7-20(14-23(26)16-28(30)32(38)39-19)17-36-31(37)29-6-3-13-34-29/h2,4-5,8-10,12,15,18-20,23,26-30,34H,3,6-7,11,13-14,16-17H2,1H3,(H,36,37)/b12-10+/t19-,20-,23+,26-,27+,28-,29+,30+/m1/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020143
(CHEMBL3288443)Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-22(9-8-19-7-6-17(14-30-19)21-4-2-3-5-24(21)29)20-10-11-28(15-34-27(33)31-28)13-18(20)12-23(25)26(32)35-16/h2-9,14,16,18,20,22-23,25H,10-13,15H2,1H3,(H,31,33)/b9-8+/t16-,18-,20-,22+,23-,25+,28+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446331
(CHEMBL3109591)Show SMILES CNC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-16-26-24(23-10-7-18(27(35)33-2)12-20(23)14-25(26)28(36)37-16)11-9-22-8-6-19(15-34-22)17-4-3-5-21(13-17)29(30,31)32/h3-6,8-9,11,13,15-16,18,20,23-26H,7,10,12,14H2,1-2H3,(H,33,35)/b11-9+/t16-,18-,20+,23-,24+,25-,26+/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020134
(CHEMBL3288439)Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50020135
(CHEMBL3288440)Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r| Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 5: 561-5 (2014)
Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261016
(CHEMBL447913 | N-((1R,3aR,4aR,6R,8aR,9S,9aS)-1-met...)Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)NC(C)=O |r| Show InChI InChI=1S/C29H31F3N2O3/c1-16-27-25(24-10-9-23(34-17(2)35)13-20(24)14-26(27)28(36)37-16)11-8-22-7-6-19(15-33-22)18-4-3-5-21(12-18)29(30,31)32/h3-8,11-12,15-16,20,23-27H,9-10,13-14H2,1-2H3,(H,34,35)/b11-8+/t16-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets |
J Med Chem 51: 3061-4 (2008)
Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446329
(CHEMBL3109572)Show SMILES CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r| Show InChI InChI=1S/C31H35F3N2O3/c1-17(2)36-29(37)20-8-11-25-22(13-20)15-27-28(18(3)39-30(27)38)26(25)12-10-24-9-7-21(16-35-24)19-5-4-6-23(14-19)31(32,33)34/h4-7,9-10,12,14,16-18,20,22,25-28H,8,11,13,15H2,1-3H3,(H,36,37)/b12-10+/t18-,20-,22+,25-,26+,27-,28+/m1/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50446337
(CHEMBL3109585)Show SMILES C[C@H](N)C(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 |r| Show InChI InChI=1S/C30H36FN3O3/c1-17(32)29(35)34-15-19-6-10-25-22(12-19)14-27-28(18(2)37-30(27)36)26(25)11-9-24-8-7-21(16-33-24)20-4-3-5-23(31)13-20/h3-5,7-9,11,13,16-19,22,25-28H,6,10,12,14-15,32H2,1-2H3,(H,34,35)/b11-9+/t17-,18+,19+,22-,25+,26-,27+,28-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 183-7 (2014)
Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG |
More data for this
Ligand-Target Pair | |
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