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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'clasby' and Initial = 'mc'   
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


(Homo sapiens (Human))
BDBM50222015
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1
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4.30n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(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


(Homo sapiens (Human))
BDBM50212443
PNG
((3aR,4R,9aS,E)-7,8-difluoro-4-(2-(5-(3-fluoropheny...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(F)c(F)ccc23)nc1
Show InChI InChI=1S/C25H18F3NO2/c26-16-3-1-2-14(10-16)15-4-5-17(29-12-15)6-7-19-18-8-9-23(27)24(28)20(18)11-21-22(19)13-31-25(21)30/h1-10,12,19,21-22H,11,13H2/b7-6+/t19-,21-,22+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212440
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-fluorophenyl)pyridin-2-y...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C25H20FNO2/c26-19-6-3-5-16(12-19)18-8-9-20(27-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-29-25(23)28/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212436
PNG
((3aR,4R,9aS,E)-7-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3cc(F)ccc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222017
PNG
(1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-[...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12)C(=O)C1CC1
Show InChI InChI=1S/C29H31FN2O3/c1-17-27-24(11-10-21-9-8-19(15-31-21)23-4-2-3-5-26(23)30)22-12-13-32(28(33)18-6-7-18)16-20(22)14-25(27)29(34)35-17/h2-5,8-11,15,17-18,20,22,24-25,27H,6-7,12-14,16H2,1H3/b11-10+/t17-,20-,22-,24+,25-,27+/m1/s1
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n/an/a 8n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222041
PNG
((1R,3aR,4aS,8aS,9S,9aS)-ethyl decahydro-1-methyl-3...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2ccccc2F)C1
Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-13-12-21-19(16-31)14-24-26(17(2)35-27(24)32)23(21)11-10-20-9-8-18(15-30-20)22-6-4-5-7-25(22)29/h4-11,15,17,19,21,23-24,26H,3,12-14,16H2,1-2H3/b11-10+/t17-,19-,21-,23+,24-,26+/m1/s1
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n/an/a 8n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150291
PNG
(US8987242, 105)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C26H26N4O6S/c1-37(34,35)21-5-3-2-4-20(21)16-8-12-19(13-9-16)30-14-15-36-23(26(30)33)22(31)25(32)29-18-10-6-17(7-11-18)24(27)28/h2-13,22-23,31H,14-15H2,1H3,(H3,27,28)(H,29,32)/t22-,23-/m1/s1
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US Patent
n/an/a 10n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212429
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-(trifluoromethyl)phenyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C26H20F3NO2/c27-26(28,29)19-6-3-5-16(12-19)18-8-9-20(30-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-32-25(23)31/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212453
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212430
PNG
((3aR,4R,9aS,E)-6-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(F)cc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222015
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1
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n/an/a 10.5n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222030
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C29H31F3N2O4/c1-3-37-28(36)34-12-11-23-20(16-34)14-25-26(17(2)38-27(25)35)24(23)10-9-22-8-7-19(15-33-22)18-5-4-6-21(13-18)29(30,31)32/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(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


(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 |r|
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


(Homo sapiens (Human))
BDBM50212445
PNG
((3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vinyl)...)
Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4COC(=O)[C@@H]4Cc4ccccc34)ccc2c1
Show InChI InChI=1S/C24H21NO3/c1-27-18-9-11-23-16(12-18)6-7-17(25-23)8-10-20-19-5-3-2-4-15(19)13-21-22(20)14-28-24(21)26/h2-12,20-22H,13-14H2,1H3/b10-8+/t20-,21-,22+/m1/s1
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n/an/a 12.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212438
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]3COC(=O)[C@H]3Cc2c1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150295
PNG
(US8987242, aa144)
Show SMILES OC([C@H]1OCCN(C1=O)c1ccc(F)c(c1)C(=O)N1CCOCC1)C(=O)Nc1ccc2C(=N)NCc2c1
Show InChI InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1
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US Patent
n/an/a 13n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222026
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-chloropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3Cl)[C@H]12
Show InChI InChI=1S/C25H26ClNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212441
PNG
((3aR,4R,9aS,E)-6-chloro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccc(Cl)cc23)nc1
Show InChI InChI=1S/C25H19ClFNO2/c26-18-6-4-16-11-23-24(14-30-25(23)29)21(22(16)12-18)9-8-20-7-5-17(13-28-20)15-2-1-3-19(27)10-15/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212437
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C25H20ClNO2/c26-19-6-3-5-16(12-19)18-8-9-20(27-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-29-25(23)28/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(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


(Homo sapiens (Human))
BDBM50222022
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)S(C)(=O)=O
Show InChI InChI=1S/C26H29FN2O4S/c1-16-25-23(9-8-21-7-6-18(14-28-21)17-4-3-5-20(27)12-17)22-10-11-29(34(2,31)32)15-19(22)13-24(25)26(30)33-16/h3-9,12,14,16,19,22-25H,10-11,13,15H2,1-2H3/b9-8+/t16-,19-,22-,23+,24-,25+/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222043
PNG
((1R,3aR,4aS,8aS,9S,9aS)-6-(cyclopropylcarbonyl)-9-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)C(=O)C1CC1
Show InChI InChI=1S/C29H31FN2O3/c1-17-27-25(10-9-23-8-7-20(15-31-23)19-3-2-4-22(30)13-19)24-11-12-32(28(33)18-5-6-18)16-21(24)14-26(27)29(34)35-17/h2-4,7-10,13,15,17-18,21,24-27H,5-6,11-12,14,16H2,1H3/b10-9+/t17-,21-,24-,25+,26-,27+/m1/s1
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n/an/a 15.5n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212439
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-y...)
Show SMILES Fc1ccc2[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]3COC(=O)[C@H]3Cc2c1F
Show InChI InChI=1S/C25H18ClF2NO2/c26-16-3-1-2-14(10-16)15-4-5-17(29-12-15)6-7-19-18-8-9-23(27)24(28)20(18)11-21-22(19)13-31-25(21)30/h1-10,12,19,21-22H,11,13H2/b7-6+/t19-,21-,22+/m0/s1
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n/an/a 15.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(Homo sapiens (Human))
BDBM50222032
PNG
((1R,3aR,4aS,8aS,9S,9aS)-2-methoxyethyl 9-[(e)-2-[5...)
Show SMILES COCCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C29H33FN2O5/c1-18-27-25(9-8-23-7-6-20(16-31-23)19-4-3-5-22(30)14-19)24-10-11-32(29(34)36-13-12-35-2)17-21(24)15-26(27)28(33)37-18/h3-9,14,16,18,21,24-27H,10-13,15,17H2,1-2H3/b9-8+/t18-,21-,24-,25+,26-,27+/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(Homo sapiens (Human))
BDBM50222031
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(e)-...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C26H26F3NO3/c1-15-24-22(21-9-10-32-14-18(21)12-23(24)25(31)33-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222034
PNG
((1R,3aR,4aS,8aS,9S,9aS)-N-ethyl-dodecahydro-1-meth...)
Show SMILES CCNC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |w:20.22|
Show InChI InChI=1S/C28H32FN3O3/c1-3-30-28(34)32-12-11-23-20(16-32)14-25-26(17(2)35-27(25)33)24(23)10-9-22-8-7-19(15-31-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3,(H,30,34)/t17-,20-,23-,24+,25-,26+/m1/s1
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n/an/a 18.5n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222013
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-chloropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3)[C@H]12
Show InChI InChI=1S/C25H26ClNO3/c1-15-24-22(21-9-10-29-14-18(21)12-23(24)25(28)30-15)8-7-20-6-5-17(13-27-20)16-3-2-4-19(26)11-16/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150286
PNG
(US8987242, 62)
Show SMILES Cc1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(N)nccc3c2)C1=O |r|
Show InChI InChI=1/C22H22N4O4/c1-13-2-5-16(6-3-13)26-10-11-30-19(22(26)29)18(27)21(28)25-15-4-7-17-14(12-15)8-9-24-20(17)23/h2-9,12,18-19,27H,10-11H2,1H3,(H2,23,24)(H,25,28)/t18-,19-/s2
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n/an/a 20n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150285
PNG
(US8987242, 50)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(C2=O)c2cccc(NC(=O)CO)c2)cc1 |r|
Show InChI InChI=1/C21H23N5O6/c22-19(23)12-4-6-13(7-5-12)25-20(30)17(29)18-21(31)26(8-9-32-18)15-3-1-2-14(10-15)24-16(28)11-27/h1-7,10,17-18,27,29H,8-9,11H2,(H3,22,23)(H,24,28)(H,25,30)/t17-,18-/s2
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n/an/a 20n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150289
PNG
(US8987242, 15)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(C2=O)c2ccc(cc2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H30N4O4/c26-23(27)18-6-10-19(11-7-18)28-24(31)21(30)22-25(32)29(14-15-33-22)20-12-8-17(9-13-20)16-4-2-1-3-5-16/h6-13,16,21-22,30H,1-5,14-15H2,(H3,26,27)(H,28,31)/t21-,22-/m1/s1
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n/an/a 20n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JNS
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212435
PNG
((3aR,4R,9aS,E)-8-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(F)cccc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-17-4-1-3-15(11-17)16-7-8-18(28-13-16)9-10-20-19-5-2-6-24(27)21(19)12-22-23(20)14-30-25(22)29/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
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n/an/a 20.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222018
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-dichlorop...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(Cl)c3Cl)[C@H]12
Show InChI InChI=1S/C25H25Cl2NO3/c1-14-23-20(18-9-10-30-13-16(18)11-21(23)25(29)31-14)8-7-17-6-5-15(12-28-17)19-3-2-4-22(26)24(19)27/h2-8,12,14,16,18,20-21,23H,9-11,13H2,1H3/b8-7+/t14-,16-,18-,20+,21-,23+/m1/s1
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n/an/a 21n/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: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212431
PNG
((3aR,4R,9aS,E)-6,8-difluoro-4-(2-(5-(3-(trifluorom...)
Show SMILES Fc1cc(F)c2C[C@H]3[C@H](COC3=O)[C@@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C26H18F5NO2/c27-17-9-20-19(23-13-34-25(33)22(23)11-21(20)24(28)10-17)7-6-18-5-4-15(12-32-18)14-2-1-3-16(8-14)26(29,30)31/h1-10,12,19,22-23H,11,13H2/b7-6+/t19-,22-,23+/m0/s1
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n/an/a 21.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222042
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CSCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C26H26F3NO2S/c1-15-24-22(21-9-10-33-14-18(21)12-23(24)25(31)32-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,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 PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(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


(Homo sapiens (Human))
BDBM50222039
PNG
((1R,3aR,4aS,8aS,9S,9aS)-phenylmethyl decahydro-1-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H33F3N2O4/c1-21-31-29(13-12-27-11-10-24(18-38-27)23-8-5-9-26(16-23)34(35,36)37)28-14-15-39(19-25(28)17-30(31)32(40)43-21)33(41)42-20-22-6-3-2-4-7-22/h2-13,16,18,21,25,28-31H,14-15,17,19-20H2,1H3/b13-12+/t21-,25-,28-,29+,30-,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


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222019
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-fluoropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12
Show InChI InChI=1S/C25H26FNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,24+/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


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222035
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2,3-difluorop...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3F)[C@H]12
Show InChI InChI=1S/C25H25F2NO3/c1-14-23-20(18-9-10-30-13-16(18)11-21(23)25(29)31-14)8-7-17-6-5-15(12-28-17)19-3-2-4-22(26)24(19)27/h2-8,12,14,16,18,20-21,23H,9-11,13H2,1H3/b8-7+/t14-,16-,18-,20+,21-,23+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222016
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(3-fluoropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12
Show InChI InChI=1S/C25H26FNO3/c1-15-24-22(21-9-10-29-14-18(21)12-23(24)25(28)30-15)8-7-20-6-5-17(13-27-20)16-3-2-4-19(26)11-16/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/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
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(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 |r|
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


(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 |r|
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


(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
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