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PubMed code 17201416

Compile data set for download or QSAR
Found 24 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 1 (PAR1)


(Homo sapiens (Human))
BDBM50202073
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202078
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)[C@H]12
Show InChI InChI=1S/C26H26ClF2NO2/c1-15-24-21(19-10-11-26(28,29)13-17(19)12-22(24)25(31)32-15)9-8-18-7-6-16(14-30-18)20-4-2-3-5-23(20)27/h2-9,14-15,17,19,21-22,24H,10-13H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173419
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(3-tr...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(32)33-16)12-11-21-10-9-19(15-31-21)17-6-4-7-20(13-17)27(28,29)30/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202082
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12
Show InChI InChI=1S/C26H26ClF2NO2/c1-15-24-22(21-9-10-26(28,29)13-18(21)12-23(24)25(31)32-15)8-7-20-6-5-17(14-30-20)16-3-2-4-19(27)11-16/h2-8,11,14-15,18,21-24H,9-10,12-13H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202064
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12
Show InChI InChI=1S/C26H26F3NO2/c1-15-24-22(21-9-10-26(28,29)13-18(21)12-23(24)25(31)32-15)8-7-20-6-5-17(14-30-20)16-3-2-4-19(27)11-16/h2-8,11,14-15,18,21-24H,9-10,12-13H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202067
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3Cl)[C@H]12
Show InChI InChI=1S/C26H27Cl2NO3/c1-14-24-21(19-10-8-18(30)11-16(19)12-22(24)26(31)32-14)9-7-17-6-5-15(13-29-17)20-3-2-4-23(27)25(20)28/h2-7,9,13-14,16,18-19,21-22,24,30H,8,10-12H2,1H3/b9-7+/t14-,16+,18-,19-,21+,22-,24+/m1/s1
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n/an/a 16.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202073
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202079
PNG
((3R,3aS,4S,4aR,7S,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21+,22-,23+,24-,25+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202084
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12
Show InChI InChI=1S/C26H26F3NO2/c1-15-24-21(19-10-11-26(28,29)13-17(19)12-22(24)25(31)32-15)9-8-18-7-6-16(14-30-18)20-4-2-3-5-23(20)27/h2-9,14-15,17,19,21-22,24H,10-13H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202070
PNG
((3R,3aS,4S,4aS,8R,8aS,9aR)-decahydro-8-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3[C@H](O)CCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-21(20-6-3-7-24(32)22(20)13-23(25)26(33)34-15)11-10-19-9-8-17(14-31-19)16-4-2-5-18(12-16)27(28,29)30/h2,4-5,8-12,14-15,20-25,32H,3,6-7,13H2,1H3/b11-10+/t15-,20+,21+,22+,23-,24-,25+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202074
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12
Show InChI InChI=1S/C26H28FNO3/c1-15-25-23(22-10-8-21(29)12-18(22)13-24(25)26(30)31-15)9-7-20-6-5-17(14-28-20)16-3-2-4-19(27)11-16/h2-7,9,11,14-15,18,21-25,29H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202066
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H26F5NO2/c1-15-24-22(21-9-10-26(28,29)13-18(21)12-23(24)25(34)35-15)8-7-20-6-5-17(14-33-20)16-3-2-4-19(11-16)27(30,31)32/h2-8,11,14-15,18,21-24H,9-10,12-13H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202076
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12
Show InChI InChI=1S/C26H28ClNO3/c1-15-25-23(22-10-8-21(29)12-18(22)13-24(25)26(30)31-15)9-7-20-6-5-17(14-28-20)16-3-2-4-19(27)11-16/h2-7,9,11,14-15,18,21-25,29H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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n/an/a 38.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202065
PNG
((3R,3aS,4S,4aS,8S,8aS,9aR)-decahydro-8-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3[C@@H](O)CCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-21(20-6-3-7-24(32)22(20)13-23(25)26(33)34-15)11-10-19-9-8-17(14-31-19)16-4-2-5-18(12-16)27(28,29)30/h2,4-5,8-12,14-15,20-25,32H,3,6-7,13H2,1H3/b11-10+/t15-,20+,21+,22+,23-,24+,25+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202072
PNG
((3R,3aS,4S,4aS,8aS,9aR)-8,8-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@H]3[C@@H](CCCC3(F)F)[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H26F5NO2/c1-15-24-21(20-6-3-11-26(28,29)23(20)13-22(24)25(34)35-15)10-9-19-8-7-17(14-33-19)16-4-2-5-18(12-16)27(30,31)32/h2,4-5,7-10,12,14-15,20-24H,3,6,11,13H2,1H3/b10-9+/t15-,20+,21+,22-,23+,24+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202083
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3C)[C@H]12
Show InChI InChI=1S/C27H31NO3/c1-16-5-3-4-6-22(16)18-7-8-20(28-15-18)9-11-24-23-12-10-21(29)13-19(23)14-25-26(24)17(2)31-27(25)30/h3-9,11,15,17,19,21,23-26,29H,10,12-14H2,1-2H3/b11-9+/t17-,19+,21-,23-,24+,25-,26+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202063
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12
Show InChI InChI=1S/C26H28FNO3/c1-15-25-22(20-11-9-19(29)12-17(20)13-23(25)26(30)31-15)10-8-18-7-6-16(14-28-18)21-4-2-3-5-24(21)27/h2-8,10,14-15,17,19-20,22-23,25,29H,9,11-13H2,1H3/b10-8+/t15-,17+,19-,20-,22+,23-,25+/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202077
PNG
((3R,3aS,4S,4aR,8aR,9aR)-7,7-difluoro-decahydro-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3)[C@H]12
Show InChI InChI=1S/C27H29F2NO2/c1-16-4-3-5-18(12-16)19-6-7-21(30-15-19)8-9-23-22-10-11-27(28,29)14-20(22)13-24-25(23)17(2)32-26(24)31/h3-9,12,15,17,20,22-25H,10-11,13-14H2,1-2H3/b9-8+/t17-,20-,22-,23+,24-,25+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202080
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cc(Cl)ccc3Cl)[C@H]12
Show InChI InChI=1S/C26H27Cl2NO3/c1-14-25-21(20-8-6-19(30)10-16(20)11-23(25)26(31)32-14)7-5-18-4-2-15(13-29-18)22-12-17(27)3-9-24(22)28/h2-5,7,9,12-14,16,19-21,23,25,30H,6,8,10-11H2,1H3/b7-5+/t14-,16+,19-,20-,21+,23-,25+/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202075
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3)[C@H]12
Show InChI InChI=1S/C27H31NO3/c1-16-4-3-5-18(12-16)19-6-7-21(28-15-19)8-10-24-23-11-9-22(29)13-20(23)14-25-26(24)17(2)31-27(25)30/h3-8,10,12,15,17,20,22-26,29H,9,11,13-14H2,1-2H3/b10-8+/t17-,20+,22-,23-,24+,25-,26+/m1/s1
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n/an/a 147n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202081
PNG
((-)-(3R,3aS,4S,4aR,6R,8aS,9aR)-decahydro-6-hydroxy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-22(23-13-21(32)9-6-17(23)12-24(25)26(33)34-15)10-8-20-7-5-18(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-5,7-8,10-11,14-15,17,21-25,32H,6,9,12-13H2,1H3/b10-8+/t15-,17+,21-,22+,23-,24-,25+/m1/s1
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n/an/a 481n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202071
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(F)cc3)[C@H]12
Show InChI InChI=1S/C26H28FNO3/c1-15-25-23(22-11-9-21(29)12-18(22)13-24(25)26(30)31-15)10-8-20-7-4-17(14-28-20)16-2-5-19(27)6-3-16/h2-8,10,14-15,18,21-25,29H,9,11-13H2,1H3/b10-8+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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n/an/a 829n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202068
PNG
((+)-(3R,3aS,4S,4aR,6S,8aS,9aR)-decahydro-6-hydroxy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC[C@H](O)C[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-22(23-13-21(32)9-6-17(23)12-24(25)26(33)34-15)10-8-20-7-5-18(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-5,7-8,10-11,14-15,17,21-25,32H,6,9,12-13H2,1H3/b10-8+/t15-,17+,21+,22+,23-,24-,25+/m1/s1
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n/an/a 845n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50202069
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(C)cc3)[C@H]12
Show InChI InChI=1S/C27H31NO3/c1-16-3-5-18(6-4-16)19-7-8-21(28-15-19)9-11-24-23-12-10-22(29)13-20(23)14-25-26(24)17(2)31-27(25)30/h3-9,11,15,17,20,22-26,29H,10,12-14H2,1-2H3/b11-9+/t17-,20+,22-,23-,24+,25-,26+/m1/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%