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PubMed code 16380251

Compile data set for download or QSAR
Found 31 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))
BDBM50179567
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-hydroxyquinoli...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(O)ccc4n3)[C@H]12
Show InChI InChI=1S/C24H27NO3/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-8-17-7-6-16-12-18(26)9-11-22(16)25-17/h6-12,14-15,19-21,23,26H,2-5,13H2,1H3/b10-8+/t14-,15+,19-,20+,21-,23+/m1/s1
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n/an/a 6.30n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179569
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-methoxyquino...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1
Show InChI InChI=1S/C25H29NO3/c1-15-24-21(20-6-4-3-5-16(20)14-22(24)25(27)29-15)11-9-18-8-7-17-13-19(28-2)10-12-23(17)26-18/h7-13,15-16,20-22,24H,3-6,14H2,1-2H3/b11-9+/t15-,16+,20-,21+,22-,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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179581
PNG
((+)-2-(2-(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\c3ccc4cc(OCC(=O)Nc5ccccc5)ccc4n3)[C@H]12
Show InChI InChI=1S/C32H34N2O4/c1-20-31-27(26-10-6-5-7-21(26)18-28(31)32(36)38-20)15-13-24-12-11-22-17-25(14-16-29(22)33-24)37-19-30(35)34-23-8-3-2-4-9-23/h2-4,8-9,11-17,20-21,26-28,31H,5-7,10,18-19H2,1H3,(H,34,35)/b15-13+/t20-,21+,26-,27+,28-,31+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179587
PNG
((+)-N-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-ox...)
Show SMILES CCCC(=O)Nc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1
Show InChI InChI=1S/C28H34N2O3/c1-3-6-26(31)30-21-12-14-25-19(15-21)9-10-20(29-25)11-13-23-22-8-5-4-7-18(22)16-24-27(23)17(2)33-28(24)32/h9-15,17-18,22-24,27H,3-8,16H2,1-2H3,(H,30,31)/b13-11+/t17-,18+,22-,23+,24-,27+/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179578
PNG
((+)-2-(2-(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\c3ccc4cc(OCC(O)=O)ccc4n3)[C@H]12
Show InChI InChI=1S/C26H29NO5/c1-15-25-21(20-5-3-2-4-16(20)13-22(25)26(30)32-15)10-8-18-7-6-17-12-19(31-14-24(28)29)9-11-23(17)27-18/h6-12,15-16,20-22,25H,2-5,13-14H2,1H3,(H,28,29)/b10-8+/t15-,16+,20-,21+,22-,25+/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 PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179562
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-aminoquinolin-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(N)ccc4n3)[C@H]12
Show InChI InChI=1S/C24H28N2O2/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-9-18-8-6-16-12-17(25)7-11-22(16)26-18/h6-12,14-15,19-21,23H,2-5,13,25H2,1H3/b10-9+/t14-,15+,19-,20+,21-,23+/m1/s1
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n/an/a 30n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179577
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(5,6-dimethoxyqui...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1OC
Show InChI InChI=1S/C26H31NO4/c1-15-24-19(18-7-5-4-6-16(18)14-21(24)26(28)31-15)10-8-17-9-11-20-22(27-17)12-13-23(29-2)25(20)30-3/h8-13,15-16,18-19,21,24H,4-7,14H2,1-3H3/b10-8+/t15-,16+,18-,19+,21-,24+/m1/s1
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n/an/a 50n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179571
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(6-(thio...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(ccc4n3)-c3ccsc3)[C@H]12
Show InChI InChI=1S/C28H29NO2S/c1-17-27-24(23-5-3-2-4-19(23)15-25(27)28(30)31-17)10-9-22-8-6-20-14-18(7-11-26(20)29-22)21-12-13-32-16-21/h6-14,16-17,19,23-25,27H,2-5,15H2,1H3/b10-9+/t17-,19+,23-,24+,25-,27+/m1/s1
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n/an/a 50n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179574
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(quino...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12
Show InChI InChI=1S/C24H27NO2/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/h3,5-6,9-13,15,17,19-21,23H,2,4,7-8,14H2,1H3/b13-12+/t15-,17+,19-,20+,21-,23+/m1/s1
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n/an/a 60n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179585
PNG
((+)-N-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-ox...)
Show SMILES CCC(=O)Nc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1
Show InChI InChI=1S/C27H32N2O3/c1-3-25(30)29-20-11-13-24-18(14-20)8-9-19(28-24)10-12-22-21-7-5-4-6-17(21)15-23-26(22)16(2)32-27(23)31/h8-14,16-17,21-23,26H,3-7,15H2,1-2H3,(H,29,30)/b12-10+/t16-,17+,21-,22+,23-,26+/m1/s1
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n/an/a 68n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179565
PNG
((+)-N-(2-(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\c3ccc4cc(NC(C)=O)ccc4n3)[C@H]12
Show InChI InChI=1S/C26H30N2O3/c1-15-25-22(21-6-4-3-5-17(21)14-23(25)26(30)31-15)11-9-19-8-7-18-13-20(27-16(2)29)10-12-24(18)28-19/h7-13,15,17,21-23,25H,3-6,14H2,1-2H3,(H,27,29)/b11-9+/t15-,17+,21-,22+,23-,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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179574
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(quino...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccccc4n3)[C@H]12
Show InChI InChI=1S/C24H27NO2/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/h3,5-6,9-13,15,17,19-21,23H,2,4,7-8,14H2,1H3/b13-12+/t15-,17+,19-,20+,21-,23+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179586
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethoxyquinol...)
Show SMILES CCOc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1
Show InChI InChI=1S/C26H31NO3/c1-3-29-20-11-13-24-18(14-20)8-9-19(27-24)10-12-22-21-7-5-4-6-17(21)15-23-25(22)16(2)30-26(23)28/h8-14,16-17,21-23,25H,3-7,15H2,1-2H3/b12-10+/t16-,17+,21-,22+,23-,25+/m1/s1
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n/an/a 125n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179588
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(7-met...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4ccc(C)cc4n3)[C@H]12
Show InChI InChI=1S/C25H29NO2/c1-15-7-8-17-9-10-19(26-23(17)13-15)11-12-21-20-6-4-3-5-18(20)14-22-24(21)16(2)28-25(22)27/h7-13,16,18,20-22,24H,3-6,14H2,1-2H3/b12-11+/t16-,18+,20-,21+,22-,24+/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 PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179566
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-chloroquinol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(Cl)ccc4n3)[C@H]12
Show InChI InChI=1S/C24H26ClNO2/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-9-18-8-6-16-12-17(25)7-11-22(16)26-18/h6-12,14-15,19-21,23H,2-5,13H2,1H3/b10-9+/t14-,15+,19-,20+,21-,23+/m1/s1
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n/an/a 155n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179576
PNG
((+)-N-(2-(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\c3ccc4cc(NC(=O)c5ccccc5)ccc4n3)[C@H]12
Show InChI InChI=1S/C31H32N2O3/c1-19-29-26(25-10-6-5-9-21(25)18-27(29)31(35)36-19)15-13-23-12-11-22-17-24(14-16-28(22)32-23)33-30(34)20-7-3-2-4-8-20/h2-4,7-8,11-17,19,21,25-27,29H,5-6,9-10,18H2,1H3,(H,33,34)/b15-13+/t19-,21+,25-,26+,27-,29+/m1/s1
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n/an/a 219n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179575
PNG
((+/-)-tert-butyl 2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](C=Cc3ccc4cc(OCCNC(=O)OC(C)(C)C)ccc4n3)[C@H]12
Show InChI InChI=1S/C31H40N2O5/c1-19-28-25(24-8-6-5-7-20(24)18-26(28)29(34)37-19)13-11-22-10-9-21-17-23(12-14-27(21)33-22)36-16-15-32-30(35)38-31(2,3)4/h9-14,17,19-20,24-26,28H,5-8,15-16,18H2,1-4H3,(H,32,35)/t19-,20+,24-,25+,26-,28+/m1/s1
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n/an/a 275n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179564
PNG
((+)-N-cyclopropyl-2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OCC(=O)NC5CC5)ccc4n3)[C@H]12
Show InChI InChI=1S/C29H34N2O4/c1-17-28-24(23-5-3-2-4-18(23)15-25(28)29(33)35-17)12-10-20-7-6-19-14-22(11-13-26(19)30-20)34-16-27(32)31-21-8-9-21/h6-7,10-14,17-18,21,23-25,28H,2-5,8-9,15-16H2,1H3,(H,31,32)/b12-10+/t17-,18+,23-,24+,25-,28+/m1/s1
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n/an/a 290n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179579
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(6-(thio...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(ccc4n3)-c3cccs3)[C@H]12
Show InChI InChI=1S/C28H29NO2S/c1-17-27-23(22-6-3-2-5-18(22)16-24(27)28(30)31-17)12-11-21-10-8-19-15-20(9-13-25(19)29-21)26-7-4-14-32-26/h4,7-15,17-18,22-24,27H,2-3,5-6,16H2,1H3/b12-11+/t17-,18+,22-,23+,24-,27+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179584
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(6-(3-(t...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(ccc4n3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C31H30F3NO2/c1-18-29-26(25-8-3-2-5-21(25)17-27(29)30(36)37-18)13-12-24-11-9-22-15-20(10-14-28(22)35-24)19-6-4-7-23(16-19)31(32,33)34/h4,6-7,9-16,18,21,25-27,29H,2-3,5,8,17H2,1H3/b13-12+/t18-,21+,25-,26+,27-,29+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179582
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(8-met...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cccc(C)c4n3)[C@H]12
Show InChI InChI=1S/C25H29NO2/c1-15-6-5-8-17-10-11-19(26-24(15)17)12-13-21-20-9-4-3-7-18(20)14-22-23(21)16(2)28-25(22)27/h5-6,8,10-13,16,18,20-23H,3-4,7,9,14H2,1-2H3/b13-12+/t16-,18+,20-,21+,22-,23+/m1/s1
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n/an/a 390n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179590
PNG
((+)-2-methyl-2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-me...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OC(C)(C)C(=O)Nc5ccccc5)ccc4n3)[C@H]12
Show InChI InChI=1S/C34H38N2O4/c1-21-31-28(27-12-8-7-9-22(27)20-29(31)32(37)39-21)17-15-25-14-13-23-19-26(16-18-30(23)35-25)40-34(2,3)33(38)36-24-10-5-4-6-11-24/h4-6,10-11,13-19,21-22,27-29,31H,7-9,12,20H2,1-3H3,(H,36,38)/b17-15+/t21-,22+,27-,28+,29-,31+/m1/s1
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n/an/a 500n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179573
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(6-(2-mo...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OCC(=O)N5CCOCC5)ccc4n3)[C@H]12
Show InChI InChI=1S/C30H36N2O5/c1-19-29-25(24-5-3-2-4-20(24)17-26(29)30(34)37-19)10-8-22-7-6-21-16-23(9-11-27(21)31-22)36-18-28(33)32-12-14-35-15-13-32/h6-11,16,19-20,24-26,29H,2-5,12-15,17-18H2,1H3/b10-8+/t19-,20+,24-,25+,26-,29+/m1/s1
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n/an/a 500n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179569
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-methoxyquino...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1
Show InChI InChI=1S/C25H29NO3/c1-15-24-21(20-6-4-3-5-16(20)14-22(24)25(27)29-15)11-9-18-8-7-17-13-19(28-2)10-12-23(17)26-18/h7-13,15-16,20-22,24H,3-6,14H2,1-2H3/b11-9+/t15-,16+,20-,21+,22-,24+/m1/s1
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n/an/a 620n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179589
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(8-methoxyquino...)
Show SMILES COc1cccc2ccc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)nc12
Show InChI InChI=1S/C25H29NO3/c1-15-23-20(19-8-4-3-6-17(19)14-21(23)25(27)29-15)13-12-18-11-10-16-7-5-9-22(28-2)24(16)26-18/h5,7,9-13,15,17,19-21,23H,3-4,6,8,14H2,1-2H3/b13-12+/t15-,17+,19-,20+,21-,23+/m1/s1
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n/an/a 700n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179563
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-fluoroquinol...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(F)ccc4n3)[C@H]12
Show InChI InChI=1S/C24H26FNO2/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-9-18-8-6-16-12-17(25)7-11-22(16)26-18/h6-12,14-15,19-21,23H,2-5,13H2,1H3/b10-9+/t14-,15+,19-,20+,21-,23+/m1/s1
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n/an/a 730n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179570
PNG
((+/-)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(5-chloro-6-met...)
Show SMILES COc1ccc2nc(\C=C\[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1Cl
Show InChI InChI=1S/C25H28ClNO3/c1-14-23-18(17-6-4-3-5-15(17)13-20(23)25(28)30-14)9-7-16-8-10-19-21(27-16)11-12-22(29-2)24(19)26/h7-12,14-15,17-18,20,23H,3-6,13H2,1-2H3/b9-7+/t14-,15+,17-,18+,20-,23+/m1/s1
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n/an/a 800n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179568
PNG
((+)-2-methyl-2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-me...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OC(C)(C)C(N)=O)ccc4n3)[C@H]12
Show InChI InChI=1S/C28H34N2O4/c1-16-25-22(21-7-5-4-6-17(21)15-23(25)26(31)33-16)12-10-19-9-8-18-14-20(11-13-24(18)30-19)34-28(2,3)27(29)32/h8-14,16-17,21-23,25H,4-7,15H2,1-3H3,(H2,29,32)/b12-10+/t16-,17+,21-,22+,23-,25+/m1/s1
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n/an/a 800n/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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179580
PNG
((+)2-(2-(2-((3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OCC(N)=O)ccc4n3)[C@H]12
Show InChI InChI=1S/C26H30N2O4/c1-15-25-21(20-5-3-2-4-16(20)13-22(25)26(30)32-15)10-8-18-7-6-17-12-19(31-14-24(27)29)9-11-23(17)28-18/h6-12,15-16,20-22,25H,2-5,13-14H2,1H3,(H2,27,29)/b10-8+/t15-,16+,20-,21+,22-,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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179583
PNG
((+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-(benzyloxy)qui...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(OCc5ccccc5)ccc4n3)[C@H]12
Show InChI InChI=1S/C31H33NO3/c1-20-30-27(26-10-6-5-9-22(26)18-28(30)31(33)35-20)15-13-24-12-11-23-17-25(14-16-29(23)32-24)34-19-21-7-3-2-4-8-21/h2-4,7-8,11-17,20,22,26-28,30H,5-6,9-10,18-19H2,1H3/b15-13+/t20-,22+,26-,27+,28-,30+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50179572
PNG
((+)-N-(2-(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\c3ccc4cc(NC(=O)C(C)(C)C)ccc4n3)[C@H]12
Show InChI InChI=1S/C29H36N2O3/c1-17-26-23(22-8-6-5-7-18(22)16-24(26)27(32)34-17)13-11-20-10-9-19-15-21(12-14-25(19)30-20)31-28(33)29(2,3)4/h9-15,17-18,22-24,26H,5-8,16H2,1-4H3,(H,31,33)/b13-11+/t17-,18+,22-,23+,24-,26+/m1/s1
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n/an/a 2.15E+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


Bioorg Med Chem Lett 16: 1544-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.042
BindingDB Entry DOI: 10.7270/Q2KH0MXM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%