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PubMed code 17574850

Compile data set for download or QSAR
Found 27 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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50215908
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyrrol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)N3CCCC3)[C@H]12
Show InChI InChI=1S/C24H32N2O2/c1-16-23-21(20-7-3-2-6-17(20)14-22(23)24(27)28-16)11-9-18-8-10-19(15-25-18)26-12-4-5-13-26/h8-11,15-17,20-23H,2-7,12-14H2,1H3/b11-9+/t16-,17+,20-,21+,22-,23+/m1/s1
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487n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to cannabinoid CB2 receptor


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50215910
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridi...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccnc3)[C@H]12
Show InChI InChI=1S/C25H28N2O2/c1-16-24-22(21-7-3-2-5-17(21)13-23(24)25(28)29-16)11-10-20-9-8-19(15-27-20)18-6-4-12-26-14-18/h4,6,8-12,14-17,21-24H,2-3,5,7,13H2,1H3/b11-10+/t16-,17+,21-,22+,23-,24+/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to cannabinoid CB2 receptor


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215907
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(thioph...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccsc3)[C@H]12
Show InChI InChI=1S/C24H27NO2S/c1-15-23-21(20-5-3-2-4-16(20)12-22(23)24(26)27-15)9-8-19-7-6-17(13-25-19)18-10-11-28-14-18/h6-11,13-16,20-23H,2-5,12H2,1H3/b9-8+/t15-,16+,20-,21+,22-,23+/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 human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
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 human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215919
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-4-(2-(5-(furan-2-yl)pyri...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccco3)[C@H]12
Show InChI InChI=1S/C24H27NO3/c1-15-23-20(19-6-3-2-5-16(19)13-21(23)24(26)28-15)11-10-18-9-8-17(14-25-18)22-7-4-12-27-22/h4,7-12,14-16,19-21,23H,2-3,5-6,13H2,1H3/b11-10+/t15-,16+,19-,20+,21-,23+/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 human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215921
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(thioph...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccs3)[C@H]12
Show InChI InChI=1S/C24H27NO2S/c1-15-23-20(19-6-3-2-5-16(19)13-21(23)24(26)27-15)11-10-18-9-8-17(14-25-18)22-7-4-12-28-22/h4,7-12,14-16,19-21,23H,2-3,5-6,13H2,1H3/b11-10+/t15-,16+,19-,20+,21-,23+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215923
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridi...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccn3)[C@H]12
Show InChI InChI=1S/C25H28N2O2/c1-16-24-21(20-7-3-2-6-17(20)14-22(24)25(28)29-16)12-11-19-10-9-18(15-27-19)23-8-4-5-13-26-23/h4-5,8-13,15-17,20-22,24H,2-3,6-7,14H2,1H3/b12-11+/t16-,17+,20-,21+,22-,24+/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
Displacement of [3H]haTRAP from human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215910
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridi...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccnc3)[C@H]12
Show InChI InChI=1S/C25H28N2O2/c1-16-24-22(21-7-3-2-5-17(21)13-23(24)25(28)29-16)11-10-20-9-8-19(15-27-20)18-6-4-12-26-14-18/h4,6,8-12,14-17,21-24H,2-3,5,7,13H2,1H3/b11-10+/t16-,17+,21-,22+,23-,24+/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
Displacement of [3H]haTRAP from human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
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
Displacement of [3H]haTRAP from human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215908
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyrrol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)N3CCCC3)[C@H]12
Show InChI InChI=1S/C24H32N2O2/c1-16-23-21(20-7-3-2-6-17(20)14-22(23)24(27)28-16)11-9-18-8-10-19(15-25-18)26-12-4-5-13-26/h8-11,15-17,20-23H,2-7,12-14H2,1H3/b11-9+/t16-,17+,20-,21+,22-,23+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215917
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-4-(2-(5-(5-chlorothiophe...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc(Cl)s3)[C@H]12
Show InChI InChI=1S/C24H26ClNO2S/c1-14-23-19(18-5-3-2-4-15(18)12-20(23)24(27)28-14)9-8-17-7-6-16(13-26-17)21-10-11-22(25)29-21/h6-11,13-15,18-20,23H,2-5,12H2,1H3/b9-8+/t14-,15+,18-,19+,20-,23+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215922
PNG
((3R,3aS,4S,4aS,9aR,E)-3-methyl-4-(2-(5-phenylpyrid...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3)[C@H]12
Show InChI InChI=1S/C26H27NO2/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/h2-4,7-8,11-17,22-25H,5-6,9-10H2,1H3/b14-13+/t17-,22-,23+,24-,25+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215914
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(thiazo...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3nccs3)[C@H]12
Show InChI InChI=1S/C23H26N2O2S/c1-14-21-19(18-5-3-2-4-15(18)12-20(21)23(26)27-14)9-8-17-7-6-16(13-25-17)22-24-10-11-28-22/h6-11,13-15,18-21H,2-5,12H2,1H3/b9-8+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215906
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyrazi...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cnccn3)[C@H]12
Show InChI InChI=1S/C24H27N3O2/c1-15-23-20(19-5-3-2-4-16(19)12-21(23)24(28)29-15)9-8-18-7-6-17(13-27-18)22-14-25-10-11-26-22/h6-11,13-16,19-21,23H,2-5,12H2,1H3/b9-8+/t15-,16+,19-,20+,21-,23+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215915
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-4-(2-(5-cyclopentylpyrid...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)C3CCCC3)[C@H]12
Show InChI InChI=1S/C25H33NO2/c1-16-24-22(21-9-5-4-8-18(21)14-23(24)25(27)28-16)13-12-20-11-10-19(15-26-20)17-6-2-3-7-17/h10-13,15-18,21-24H,2-9,14H2,1H3/b13-12+/t16-,18+,21-,22+,23-,24+/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215920
PNG
((3R,3aS,4S,4aS,9aR,E)-3-methyl-4-(2-(6-methyl-5-ph...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3)[C@H]12
Show InChI InChI=1S/C27H29NO2/c1-17-22(19-8-4-3-5-9-19)14-12-21(28-17)13-15-24-23-11-7-6-10-20(23)16-25-26(24)18(2)30-27(25)29/h3-5,8-9,12-16,18,23-26H,6-7,10-11H2,1-2H3/b15-13+/t18-,23-,24+,25-,26+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215905
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(1-meth...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cncn3C)[C@H]12
Show InChI InChI=1S/C24H29N3O2/c1-15-23-20(19-6-4-3-5-16(19)11-21(23)24(28)29-15)10-9-18-8-7-17(12-26-18)22-13-25-14-27(22)2/h7-10,12-16,19-21,23H,3-6,11H2,1-2H3/b10-9+/t15-,16+,19-,20+,21-,23+/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50191042
PNG
((3R,3aS,4S,4aS,9aR)-3-methyl-4-(2-(quinolin-2-yl)v...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12
Show InChI InChI=1S/C24H25NO2/c1-15-23-20(13-12-18-11-10-16-6-3-5-9-22(16)25-18)19-8-4-2-7-17(19)14-21(23)24(26)27-15/h3,5-6,9-15,19-21,23H,2,4,7-8H2,1H3/b13-12+/t15-,19-,20+,21-,23+/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
Displacement of [3H]haTRAP from human PAR1 receptor in platelet membrane


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215909
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[2-(1'-oxy-[3,3...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccc[n+]([O-])c3)[C@H]12
Show InChI InChI=1S/C25H28N2O3/c1-16-24-22(21-7-3-2-5-17(21)13-23(24)25(28)30-16)11-10-20-9-8-18(14-26-20)19-6-4-12-27(29)15-19/h4,6,8-12,14-17,21-24H,2-3,5,7,13H2,1H3/b11-10+/t16-,17+,21-,22+,23-,24+/m1/s1
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n/an/a 207n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215912
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-4-(2-(5-ethylpyridin-2-y...)
Show SMILES CCc1ccc(\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/C22H29NO2/c1-3-15-8-9-17(23-13-15)10-11-19-18-7-5-4-6-16(18)12-20-21(19)14(2)25-22(20)24/h8-11,13-14,16,18-21H,3-7,12H2,1-2H3/b11-10+/t14-,16+,18-,19+,20-,21+/m1/s1
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n/an/a 263n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215924
PNG
((3R,3aS,4S,4aS,9aR,E)-4-(2-(6-ethyl-5-phenylpyridi...)
Show SMILES CCc1nc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C=C3CCCC[C@@H]23)ccc1-c1ccccc1
Show InChI InChI=1S/C28H31NO2/c1-3-26-23(19-9-5-4-6-10-19)15-13-21(29-26)14-16-24-22-12-8-7-11-20(22)17-25-27(24)18(2)31-28(25)30/h4-6,9-10,13-18,22,24-25,27H,3,7-8,11-12H2,1-2H3/b16-14+/t18-,22-,24+,25-,27+/m1/s1
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n/an/a 285n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215918
PNG
((3R,3aS,4S,4aS,9aR,E)-3-methyl-4-(2-(6-methylpyrid...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3cccc(C)n3)[C@H]12
Show InChI InChI=1S/C21H25NO2/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/h5-6,8,10-12,14,17-20H,3-4,7,9H2,1-2H3/b11-10+/t14-,17-,18+,19-,20+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215916
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-morphol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)N3CCOCC3)[C@H]12
Show InChI InChI=1S/C24H32N2O3/c1-16-23-21(20-5-3-2-4-17(20)14-22(23)24(27)29-16)9-7-18-6-8-19(15-25-18)26-10-12-28-13-11-26/h6-9,15-17,20-23H,2-5,10-14H2,1H3/b9-7+/t16-,17+,20-,21+,22-,23+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215911
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-4-(2-(5-(1H-imidazol-2-y...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ncc[nH]3)[C@H]12
Show InChI InChI=1S/C23H27N3O2/c1-14-21-19(18-5-3-2-4-15(18)12-20(21)23(27)28-14)9-8-17-7-6-16(13-26-17)22-24-10-11-25-22/h6-11,13-15,18-21H,2-5,12H2,1H3,(H,24,25)/b9-8+/t14-,15+,18-,19+,20-,21+/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215904
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridi...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccncc3)[C@H]12
Show InChI InChI=1S/C25H28N2O2/c1-16-24-22(21-5-3-2-4-18(21)14-23(24)25(28)29-16)9-8-20-7-6-19(15-27-20)17-10-12-26-13-11-17/h6-13,15-16,18,21-24H,2-5,14H2,1H3/b9-8+/t16-,18+,21-,22+,23-,24+/m1/s1
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n/an/a 2.14E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215913
PNG
((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(4-phen...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)N3CCN(CC3)c3ccccc3)[C@H]12
Show InChI InChI=1S/C30H37N3O2/c1-21-29-27(26-10-6-5-7-22(26)19-28(29)30(34)35-21)14-12-23-11-13-25(20-31-23)33-17-15-32(16-18-33)24-8-3-2-4-9-24/h2-4,8-9,11-14,20-22,26-29H,5-7,10,15-19H2,1H3/b14-12+/t21-,22+,26-,27+,28-,29+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50215903
PNG
((3R,3aS,4S,4aS,9aR,E)-3-methyl-4-(2-(pyridin-2-yl)...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](\C=C\c3ccccn3)[C@H]12
Show InChI InChI=1S/C20H23NO2/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/h4-5,7,9-13,16-19H,2-3,6,8H2,1H3/b10-9+/t13-,16-,17+,18-,19+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 4509-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.002
BindingDB Entry DOI: 10.7270/Q2RN37J6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%