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PubMed code 16161991

Compile data set for download or QSAR
Found 50 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))
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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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant aganist Protease-activated receptor 1


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173417
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)
Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant aganist Protease-activated receptor 1


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173437
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Chloro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12
Show InChI InChI=1S/C26H28ClNO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)30-16)12-11-21-10-9-19(15-28-21)17-6-4-7-20(27)13-17/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 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173433
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(2-Methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C27H31NO3/c1-17-26-23(21-8-4-3-7-18(21)15-24(26)27(29)31-17)14-13-20-12-11-19(16-28-20)22-9-5-6-10-25(22)30-2/h5-6,9-14,16-18,21,23-24,26H,3-4,7-8,15H2,1-2H3/b14-13+/t17-,18+,21-,23+,24-,26+/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
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
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
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173409
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-m-tol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3)[C@H]12
Show InChI InChI=1S/C27H31NO2/c1-17-6-5-8-19(14-17)21-10-11-22(28-16-21)12-13-24-23-9-4-3-7-20(23)15-25-26(24)18(2)30-27(25)29/h5-6,8,10-14,16,18,20,23-26H,3-4,7,9,15H2,1-2H3/b13-12+/t18-,20+,23-,24+,25-,26+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173410
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-o-tol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3C)[C@H]12
Show InChI InChI=1S/C27H31NO2/c1-17-7-3-5-9-22(17)20-11-12-21(28-16-20)13-14-24-23-10-6-4-8-19(23)15-25-26(24)18(2)30-27(25)29/h3,5,7,9,11-14,16,18-19,23-26H,4,6,8,10,15H2,1-2H3/b14-13+/t18-,19+,23-,24+,25-,26+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173451
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(5-Benzyloxy-pyri...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(OCc4ccccc4)cn3)[C@H]12
Show InChI InChI=1S/C27H31NO3/c1-18-26-24(23-10-6-5-9-20(23)15-25(26)27(29)31-18)14-12-21-11-13-22(16-28-21)30-17-19-7-3-2-4-8-19/h2-4,7-8,11-14,16,18,20,23-26H,5-6,9-10,15,17H2,1H3/b14-12+/t18-,20+,23-,24+,25-,26+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173418
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Isopropyl-p...)
Show SMILES CC(C)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C29H35NO2/c1-18(2)20-8-6-9-21(15-20)23-11-12-24(30-17-23)13-14-26-25-10-5-4-7-22(25)16-27-28(26)19(3)32-29(27)31/h6,8-9,11-15,17-19,22,25-28H,4-5,7,10,16H2,1-3H3/b14-13+/t19-,22+,25-,26+,27-,28+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173417
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)
Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173438
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(2-Fluoro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12
Show InChI InChI=1S/C26H28FNO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(29)30-16)13-12-19-11-10-18(15-28-19)21-8-4-5-9-24(21)27/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
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 24n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173430
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Bromo-pheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Br)c3)[C@H]12
Show InChI InChI=1S/C26H28BrNO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)30-16)12-11-21-10-9-19(15-28-21)17-6-4-7-20(27)13-17/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 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173436
PNG
(3-{6-[(E)-2-((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-1-ox...)
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#N)[C@H]12
Show InChI InChI=1S/C27H28N2O2/c1-17-26-24(23-8-3-2-6-20(23)14-25(26)27(30)31-17)12-11-22-10-9-21(16-29-22)19-7-4-5-18(13-19)15-28/h4-5,7,9-13,16-17,20,23-26H,2-3,6,8,14H2,1H3/b12-11+/t17-,20+,23-,24+,25-,26+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173447
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(2-Chloro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)[C@H]12
Show InChI InChI=1S/C26H28ClNO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(29)30-16)13-12-19-11-10-18(15-28-19)21-8-4-5-9-24(21)27/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173421
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-pheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3)[C@H]12
Show InChI InChI=1S/C26H29NO2/c1-17-25-23(22-10-6-5-9-19(22)15-24(25)26(28)29-17)14-13-21-12-11-20(16-27-21)18-7-3-2-4-8-18/h2-4,7-8,11-14,16-17,19,22-25H,5-6,9-10,15H2,1H3/b14-13+/t17-,19+,22-,23+,24-,25+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173446
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Methoxy-phe...)
Show SMILES COc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C27H31NO3/c1-17-26-24(23-9-4-3-6-19(23)15-25(26)27(29)31-17)13-12-21-11-10-20(16-28-21)18-7-5-8-22(14-18)30-2/h5,7-8,10-14,16-17,19,23-26H,3-4,6,9,15H2,1-2H3/b13-12+/t17-,19+,23-,24+,25-,26+/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
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173445
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(3-Fluoro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12
Show InChI InChI=1S/C26H28FNO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)30-16)12-11-21-10-9-19(15-28-21)17-6-4-7-20(27)13-17/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 35n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
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 44n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173434
PNG
(2-{6-[(E)-2-((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-1-ox...)
Show SMILES CCOC(=O)c1ccccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C29H33NO4/c1-3-33-28(31)25-11-7-6-10-23(25)20-12-13-21(30-17-20)14-15-24-22-9-5-4-8-19(22)16-26-27(24)18(2)34-29(26)32/h6-7,10-15,17-19,22,24,26-27H,3-5,8-9,16H2,1-2H3/b15-14+/t18-,19+,22-,24+,26-,27+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173450
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(2-tr...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(32)33-16)13-12-19-11-10-18(15-31-19)21-8-4-5-9-24(21)27(28,29)30/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173417
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)
Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/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
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173417
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)
Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173431
PNG
(3-{6-[(E)-2-((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-1-ox...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)S(N)(=O)=O)[C@H]12
Show InChI InChI=1S/C26H30N2O4S/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)32-16)12-11-20-10-9-19(15-28-20)17-6-4-7-21(13-17)33(27,30)31/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3,(H2,27,30,31)/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173415
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Butyl-pyridin-...)
Show SMILES CCCCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C24H33NO2/c1-3-4-9-18-10-7-11-19(25-18)13-14-21-20-12-6-5-8-17(20)15-22-23(21)16(2)27-24(22)26/h7,10-11,13-14,16-17,20-23H,3-6,8-9,12,15H2,1-2H3/b14-13+/t16-,17+,20-,21+,22-,23+/m1/s1
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n/an/a 143n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173424
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-vinyl...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(C=C)n3)[C@H]12
Show InChI InChI=1S/C22H27NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h3,6,8-9,11-12,14-15,18-21H,1,4-5,7,10,13H2,2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173425
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(C)n3)[C@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h5-6,8,10-11,14-15,17-20H,3-4,7,9,12H2,1-2H3/b11-10+/t14-,15+,17-,18+,19-,20+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173426
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Methoxy-phe...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C27H31NO3/c1-17-26-24(23-6-4-3-5-19(23)15-25(26)27(29)31-17)14-11-21-10-7-20(16-28-21)18-8-12-22(30-2)13-9-18/h7-14,16-17,19,23-26H,3-6,15H2,1-2H3/b14-11+/t17-,19+,23-,24+,25-,26+/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173427
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Cyclopropyl-py...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(n3)C3CC3)[C@H]12
Show InChI InChI=1S/C23H29NO2/c1-14-22-19(12-11-17-6-4-8-21(24-17)15-9-10-15)18-7-3-2-5-16(18)13-20(22)23(25)26-14/h4,6,8,11-12,14-16,18-20,22H,2-3,5,7,9-10,13H2,1H3/b12-11+/t14-,16+,18-,19+,20-,22+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173449
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-propy...)
Show SMILES CCCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C23H31NO2/c1-3-7-17-9-6-10-18(24-17)12-13-20-19-11-5-4-8-16(19)14-21-22(20)15(2)26-23(21)25/h6,9-10,12-13,15-16,19-22H,3-5,7-8,11,14H2,1-2H3/b13-12+/t15-,16+,19-,20+,21-,22+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173425
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(C)n3)[C@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h5-6,8,10-11,14-15,17-20H,3-4,7,9,12H2,1-2H3/b11-10+/t14-,15+,17-,18+,19-,20+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173412
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(4-tr...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(cc3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO2/c1-16-25-23(22-5-3-2-4-18(22)14-24(25)26(32)33-16)13-12-21-11-8-19(15-31-21)17-6-9-20(10-7-17)27(28,29)30/h6-13,15-16,18,22-25H,2-5,14H2,1H3/b13-12+/t16-,18+,22-,23+,24-,25+/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173414
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(5-Methoxy-pyridi...)
Show SMILES COc1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1
Show InChI InChI=1S/C21H27NO3/c1-13-20-18(10-8-15-7-9-16(24-2)12-22-15)17-6-4-3-5-14(17)11-19(20)21(23)25-13/h7-10,12-14,17-20H,3-6,11H2,1-2H3/b10-8+/t13-,14+,17-,18+,19-,20+/m1/s1
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n/an/a 325n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173420
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-p-tol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(C)cc3)[C@H]12
Show InChI InChI=1S/C27H31NO2/c1-17-7-9-19(10-8-17)21-11-12-22(28-16-21)13-14-24-23-6-4-3-5-20(23)15-25-26(24)18(2)30-27(25)29/h7-14,16,18,20,23-26H,3-6,15H2,1-2H3/b14-13+/t18-,20+,23-,24+,25-,26+/m1/s1
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n/an/a 325n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173411
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-(6-Ethyl-pyridin-...)
Show SMILES CCc1cccc(\C=C\[C@H]2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173443
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Fluoro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(F)cc3)[C@H]12
Show InChI InChI=1S/C26H28FNO2/c1-16-25-23(22-5-3-2-4-18(22)14-24(25)26(29)30-16)13-12-21-11-8-19(15-28-21)17-6-9-20(27)10-7-17/h6-13,15-16,18,22-25H,2-5,14H2,1H3/b13-12+/t16-,18+,22-,23+,24-,25+/m1/s1
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n/an/a 467n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173422
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Isobutyl-pyrid...)
Show SMILES CC(C)Cc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C24H33NO2/c1-15(2)13-19-9-6-8-18(25-19)11-12-21-20-10-5-4-7-17(20)14-22-23(21)16(3)27-24(22)26/h6,8-9,11-12,15-17,20-23H,4-5,7,10,13-14H2,1-3H3/b12-11+/t16-,17+,20-,21+,22-,23+/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173439
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Isopropyl-pyri...)
Show SMILES CC(C)c1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C23H31NO2/c1-14(2)21-10-6-8-17(24-21)11-12-19-18-9-5-4-7-16(18)13-20-22(19)15(3)26-23(20)25/h6,8,10-12,14-16,18-20,22H,4-5,7,9,13H2,1-3H3/b12-11+/t15-,16+,18-,19+,20-,22+/m1/s1
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n/an/a 725n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173440
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Methoxymethyl-...)
Show SMILES COCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO3/c1-14-21-19(11-10-16-7-5-8-17(23-16)13-25-2)18-9-4-3-6-15(18)12-20(21)22(24)26-14/h5,7-8,10-11,14-15,18-21H,3-4,6,9,12-13H2,1-2H3/b11-10+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173444
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Benzyl-pyridin...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(Cc4ccccc4)n3)[C@H]12
Show InChI InChI=1S/C27H31NO2/c1-18-26-24(23-13-6-5-10-20(23)17-25(26)27(29)30-18)15-14-21-11-7-12-22(28-21)16-19-8-3-2-4-9-19/h2-4,7-9,11-12,14-15,18,20,23-26H,5-6,10,13,16-17H2,1H3/b15-14+/t18-,20+,23-,24+,25-,26+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173432
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Chloro-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(Cl)cc3)[C@H]12
Show InChI InChI=1S/C26H28ClNO2/c1-16-25-23(22-5-3-2-4-18(22)14-24(25)26(29)30-16)13-12-21-11-8-19(15-28-21)17-6-9-20(27)10-7-17/h6-13,15-16,18,22-25H,2-5,14H2,1H3/b13-12+/t16-,18+,22-,23+,24-,25+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173429
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-methy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(C)cn3)[C@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-7-8-16(22-12-13)9-10-18-17-6-4-3-5-15(17)11-19-20(18)14(2)24-21(19)23/h7-10,12,14-15,17-20H,3-6,11H2,1-2H3/b10-9+/t14-,15+,17-,18+,19-,20+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173441
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(6-methy...)
Show SMILES CNc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C21H28N2O2/c1-13-20-17(11-10-15-7-5-9-19(22-2)23-15)16-8-4-3-6-14(16)12-18(20)21(24)25-13/h5,7,9-11,13-14,16-18,20H,3-4,6,8,12H2,1-2H3,(H,22,23)/b11-10+/t13-,14+,16-,17+,18-,20+/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173428
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Hydroxymethyl-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cccc(CO)n3)[C@H]12
Show InChI InChI=1S/C21H27NO3/c1-13-20-18(10-9-15-6-4-7-16(12-23)22-15)17-8-3-2-5-14(17)11-19(20)21(24)25-13/h4,6-7,9-10,13-14,17-20,23H,2-3,5,8,11-12H2,1H3/b10-9+/t13-,14+,17-,18+,19-,20+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173442
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[(E)-2-(6-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\c3cccc(C)n3)[C@@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h5-6,8,10-11,14-15,17-20H,3-4,7,9,12H2,1-2H3/b11-10+/t14-,15+,17-,18+,19-,20+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173413
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(4-methy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3cc(C)ccn3)[C@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-9-10-22-16(11-13)7-8-18-17-6-4-3-5-15(17)12-19-20(18)14(2)24-21(19)23/h7-11,14-15,17-20H,3-6,12H2,1-2H3/b8-7+/t14-,15+,17-,18+,19-,20+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173435
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Hexyl-pyridin-...)
Show SMILES CCCCCCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C26H37NO2/c1-3-4-5-6-11-20-12-9-13-21(27-20)15-16-23-22-14-8-7-10-19(22)17-24-25(23)18(2)29-26(24)28/h9,12-13,15-16,18-19,22-25H,3-8,10-11,14,17H2,1-2H3/b16-15+/t18-,19+,22-,23+,24-,25+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173448
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(5-Benzyl-pyridin...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(Cc4ccccc4)cn3)[C@H]12
Show InChI InChI=1S/C27H31NO2/c1-18-26-24(23-10-6-5-9-21(23)16-25(26)27(29)30-18)14-13-22-12-11-20(17-28-22)15-19-7-3-2-4-8-19/h2-4,7-8,11-14,17-18,21,23-26H,5-6,9-10,15-16H2,1H3/b14-13+/t18-,21+,23-,24+,25-,26+/m1/s1
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n/an/a 3.68E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173416
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-((E)-2-pyridin-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccccn3)[C@H]12
Show InChI InChI=1S/C20H25NO2/c1-13-19-17(10-9-15-7-4-5-11-21-15)16-8-3-2-6-14(16)12-18(19)20(22)23-13/h4-5,7,9-11,13-14,16-19H,2-3,6,8,12H2,1H3/b10-9+/t13-,14+,16-,17+,18-,19+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50173423
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(3-methy...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ncccc3C)[C@H]12
Show InChI InChI=1S/C21H27NO2/c1-13-6-5-11-22-19(13)10-9-17-16-8-4-3-7-15(16)12-18-20(17)14(2)24-21(18)23/h5-6,9-11,14-18,20H,3-4,7-8,12H2,1-2H3/b10-9+/t14-,15+,16-,17+,18-,20+/m1/s1
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%