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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'chelliah' and Initial = 'mv'   
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))
BDBM50446341
PNG
(CHEMBL3109581)
Show SMILES COC(=O)NC[C@@H]1CC[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 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-17-27-25(11-9-23-8-7-20(16-31-23)19-4-3-5-22(30)13-19)24-10-6-18(15-32-29(34)35-2)12-21(24)14-26(27)28(33)36-17/h3-5,7-9,11,13,16-18,21,24-27H,6,10,12,14-15H2,1-2H3,(H,32,34)/t17-,18-,21+,24-,25+,26-,27+/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020132
PNG
(CHEMBL3288437)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446342
PNG
(CHEMBL3109579)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CO)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C27H30FNO3/c1-16-26-24(23-9-5-17(15-30)11-20(23)13-25(26)27(31)32-16)10-8-22-7-6-19(14-29-22)18-3-2-4-21(28)12-18/h2-4,6-8,10,12,14,16-17,20,23-26,30H,5,9,11,13,15H2,1H3/b10-8+/t16-,17-,20+,23-,24+,25-,26+/m1/s1
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50261110
PNG
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)
Show SMILES CCOC(=O)N[C@@H]1CC[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 |r,w:21.23|
Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020139
PNG
(CHEMBL3288441)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(9-8-21-7-6-19(15-31-21)22-5-3-2-4-18(22)14-30)23-10-11-29(16-35-28(34)32-29)13-20(23)12-25(26)27(33)36-17/h2-9,15,17,20,23-26H,10-13,16H2,1H3,(H,32,34)/b9-8+/t17-,20-,23-,24+,25-,26+,29+/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446339
PNG
(CHEMBL3109583)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(C)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C29H33FN2O3/c1-17-28-26(11-9-24-8-7-21(16-32-24)20-4-3-5-23(30)13-20)25-10-6-19(15-31-18(2)33)12-22(25)14-27(28)29(34)35-17/h3-5,7-9,11,13,16-17,19,22,25-28H,6,10,12,14-15H2,1-2H3,(H,31,33)/b11-9+/t17-,19-,22+,25-,26+,27-,28+/m1/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446338
PNG
(CHEMBL3109584)
Show SMILES CCC(=O)NC[C@@H]1CC[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 |r|
Show InChI InChI=1S/C30H35FN2O3/c1-3-28(34)33-16-19-7-11-25-22(13-19)15-27-29(18(2)36-30(27)35)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-27,29H,3,7,11,13,15-16H2,1-2H3,(H,33,34)/b12-10+/t18-,19-,22+,25-,26+,27-,29+/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446332
PNG
(CHEMBL3109590)
Show SMILES CCNC(=O)NC[C@@H]1CC[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 |r,w:22.24|
Show InChI InChI=1S/C30H36FN3O3/c1-3-32-30(36)34-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)35)26(25)12-10-24-9-8-21(17-33-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H2,32,34,36)/t18-,19-,22+,25-,26+,27-,28+/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446340
PNG
(CHEMBL3109582)
Show SMILES CCOC(=O)NC[C@@H]1CC[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 |r,w:22.24|
Show InChI InChI=1S/C30H35FN2O4/c1-3-36-30(35)33-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)34)26(25)12-10-24-9-8-21(17-32-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H,33,35)/t18-,19-,22+,25-,26+,27-,28+/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446335
PNG
(CHEMBL3109587)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CCNCC4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C33H40FN3O3/c1-20-31-29(10-8-27-7-6-24(19-36-27)23-3-2-4-26(34)16-23)28-9-5-21(15-25(28)17-30(31)33(39)40-20)18-37-32(38)22-11-13-35-14-12-22/h2-4,6-8,10,16,19-22,25,28-31,35H,5,9,11-15,17-18H2,1H3,(H,37,38)/b10-8+/t20-,21-,25+,28-,29+,30-,31+/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446334
PNG
(CHEMBL3109588)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNS(C)(=O)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C28H33FN2O4S/c1-17-27-25(11-9-23-8-7-20(16-30-23)19-4-3-5-22(29)13-19)24-10-6-18(15-31-36(2,33)34)12-21(24)14-26(27)28(32)35-17/h3-5,7-9,11,13,16-18,21,24-27,31H,6,10,12,14-15H2,1-2H3/b11-9+/t17-,18-,21+,24-,25+,26-,27+/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446333
PNG
(CHEMBL3109589)
Show SMILES CCS(=O)(=O)NC[C@@H]1CC[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 |r|
Show InChI InChI=1S/C29H35FN2O4S/c1-3-37(34,35)32-16-19-7-11-25-22(13-19)15-27-28(18(2)36-29(27)33)26(25)12-10-24-9-8-21(17-31-24)20-5-4-6-23(30)14-20/h4-6,8-10,12,14,17-19,22,25-28,32H,3,7,11,13,15-16H2,1-2H3/b12-10+/t18-,19-,22+,25-,26+,27-,28+/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020129
PNG
(CHEMBL3288436)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446343
PNG
(CHEMBL3109580)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CN)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C27H31FN2O2/c1-16-26-24(23-9-5-17(14-29)11-20(23)13-25(26)27(31)32-16)10-8-22-7-6-19(15-30-22)18-3-2-4-21(28)12-18/h2-4,6-8,10,12,15-17,20,23-26H,5,9,11,13-14,29H2,1H3/b10-8+/t16-,17-,20+,23-,24+,25-,26+/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446344
PNG
(CHEMBL3109578)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@]1(O)[C@@H]([C@@H](C)OC1=O)[C@H]2C=Cc1ccc(cn1)-c1cccc(F)c1 |r,w:23.26|
Show InChI InChI=1S/C29H33FN2O5/c1-3-36-28(34)32-23-10-11-24-20(14-23)15-29(35)26(17(2)37-27(29)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-26,35H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26+,29+/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020128
PNG
(CHEMBL3288435)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446336
PNG
(CHEMBL3109586)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)[C@@H]4CCCN4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C32H38FN3O3/c1-19-30-27(12-10-25-9-8-22(18-35-25)21-4-2-5-24(33)15-21)26-11-7-20(14-23(26)16-28(30)32(38)39-19)17-36-31(37)29-6-3-13-34-29/h2,4-5,8-10,12,15,18-20,23,26-30,34H,3,6-7,11,13-14,16-17H2,1H3,(H,36,37)/b12-10+/t19-,20-,23+,26-,27+,28-,29+,30+/m1/s1
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446331
PNG
(CHEMBL3109591)
Show SMILES CNC(=O)[C@@H]1CC[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 |r|
Show InChI InChI=1S/C29H31F3N2O3/c1-16-26-24(23-10-7-18(27(35)33-2)12-20(23)14-25(26)28(36)37-16)11-9-22-8-6-19(15-34-22)17-4-3-5-21(13-17)29(30,31)32/h3-6,8-9,11,13,15-16,18,20,23-26H,7,10,12,14H2,1-2H3,(H,33,35)/b11-9+/t16-,18-,20+,23-,24+,25-,26+/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020143
PNG
(CHEMBL3288443)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C28H29FN2O4/c1-16-25-22(9-8-19-7-6-17(14-30-19)21-4-2-3-5-24(21)29)20-10-11-28(15-34-27(33)31-28)13-18(20)12-23(25)26(32)35-16/h2-9,14,16,18,20,22-23,25H,10-13,15H2,1H3,(H,31,33)/b9-8+/t16-,18-,20-,22+,23-,25+,28+/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020134
PNG
(CHEMBL3288439)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-37-27(36)34-28)13-19(22)12-24(25)26(35)38-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1
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27n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020135
PNG
(CHEMBL3288440)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C28H29FN2O4/c1-16-25-23(8-7-21-6-5-18(14-30-21)17-3-2-4-20(29)11-17)22-9-10-28(15-34-27(33)31-28)13-19(22)12-24(25)26(32)35-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,31,33)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446329
PNG
(CHEMBL3109572)
Show SMILES CC(C)NC(=O)[C@@H]1CC[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 |r|
Show InChI InChI=1S/C31H35F3N2O3/c1-17(2)36-29(37)20-8-11-25-22(13-20)15-27-28(18(3)39-30(27)38)26(25)12-10-24-9-7-21(16-35-24)19-5-4-6-23(14-19)31(32,33)34/h4-7,9-10,12,14,16-18,20,22,25-28H,8,11,13,15H2,1-3H3,(H,36,37)/b12-10+/t18-,20-,22+,25-,26+,27-,28+/m1/s1
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31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446337
PNG
(CHEMBL3109585)
Show SMILES C[C@H](N)C(=O)NC[C@@H]1CC[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 |r|
Show InChI InChI=1S/C30H36FN3O3/c1-17(32)29(35)34-15-19-6-10-25-22(12-19)14-27-28(18(2)37-30(27)36)26(25)11-9-24-8-7-21(16-33-24)20-4-3-5-23(31)13-20/h3-5,7-9,11,13,16-19,22,25-28H,6,10,12,14-15,32H2,1-2H3,(H,34,35)/b11-9+/t17-,18+,19+,22-,25+,26-,27+,28-/m0/s1
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32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020147
PNG
(CHEMBL3288445)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-34-27(36)38-28)13-19(22)12-24(25)26(35)37-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28+/m1/s1
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32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446330
PNG
(CHEMBL3109571)
Show SMILES CCNC(=O)[C@@H]1CC[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 |r|
Show InChI InChI=1S/C30H33F3N2O3/c1-3-34-28(36)19-8-11-24-21(13-19)15-26-27(17(2)38-29(26)37)25(24)12-10-23-9-7-20(16-35-23)18-5-4-6-22(14-18)30(31,32)33/h4-7,9-10,12,14,16-17,19,21,24-27H,3,8,11,13,15H2,1-2H3,(H,34,36)/b12-10+/t17-,19-,21+,24-,25+,26-,27+/m1/s1
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35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020140
PNG
(CHEMBL3288442)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(8-7-22-6-5-20(15-31-22)19-4-2-3-18(11-19)14-30)23-9-10-29(16-35-28(34)32-29)13-21(23)12-25(26)27(33)36-17/h2-8,11,15,17,21,23-26H,9-10,12-13,16H2,1H3,(H,32,34)/b8-7+/t17-,21-,23-,24+,25-,26+,29+/m1/s1
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43n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446328
PNG
(CHEMBL3109573)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)NCCO |r|
Show InChI InChI=1S/C30H33F3N2O4/c1-17-27-25(10-8-23-7-5-20(16-35-23)18-3-2-4-22(14-18)30(31,32)33)24-9-6-19(28(37)34-11-12-36)13-21(24)15-26(27)29(38)39-17/h2-5,7-8,10,14,16-17,19,21,24-27,36H,6,9,11-13,15H2,1H3,(H,34,37)/b10-8+/t17-,19-,21+,24-,25+,26-,27+/m1/s1
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98n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446327
PNG
(CHEMBL3109574)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C33H32F3N3O3/c1-19-30-28(10-8-25-7-5-22(18-38-25)20-3-2-4-24(16-20)33(34,35)36)27-9-6-21(15-23(27)17-29(30)32(41)42-19)31(40)39-26-11-13-37-14-12-26/h2-5,7-8,10-14,16,18-19,21,23,27-30H,6,9,15,17H2,1H3,(H,37,39,40)/b10-8+/t19-,21-,23+,27-,28+,29-,30+/m1/s1
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140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446325
PNG
(CHEMBL3109576)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C32H35F3N2O4/c1-18-29-27(10-8-24-7-5-21(16-36-24)19-3-2-4-23(14-19)32(33,34)35)26-9-6-20(30(39)37-12-11-25(38)17-37)13-22(26)15-28(29)31(40)41-18/h2-5,7-8,10,14,16,18,20,22,25-29,38H,6,9,11-13,15,17H2,1H3/b10-8+/t18-,20-,22+,25-,26-,27+,28-,29+/m1/s1
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180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020146
PNG
(CHEMBL3288444)
Show SMILES [H][C@@]12C[C@]3([H])C[C@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3ccccn3)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C27H29N3O4/c1-16-24-21(8-7-19-6-5-17(14-29-19)23-4-2-3-11-28-23)20-9-10-27(15-33-26(32)30-27)13-18(20)12-22(24)25(31)34-16/h2-8,11,14,16,18,20-22,24H,9-10,12-13,15H2,1H3,(H,30,32)/b8-7+/t16-,18-,20-,21+,22-,24+,27+/m1/s1
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232n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446326
PNG
(CHEMBL3109575)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C33H32F3N3O3/c1-19-30-28(12-10-25-9-7-22(17-38-25)20-4-2-5-24(15-20)33(34,35)36)27-11-8-21(14-23(27)16-29(30)32(41)42-19)31(40)39-26-6-3-13-37-18-26/h2-7,9-10,12-13,15,17-19,21,23,27-30H,8,11,14,16H2,1H3,(H,39,40)/b12-10+/t19-,21-,23+,27-,28+,29-,30+/m1/s1
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239n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020133
PNG
(CHEMBL3288438)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(COC(=O)N4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C#N)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-17-26-24(8-7-22-6-5-20(15-31-22)19-4-2-3-18(11-19)14-30)23-9-10-29(16-35-28(34)32-29)13-21(23)12-25(26)27(33)36-17/h2-8,11,15,17,21,23-26H,9-10,12-13,16H2,1H3,(H,32,34)/b8-7+/t17-,21-,23-,24+,25-,26+,29-/m1/s1
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267n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50446324
PNG
(CHEMBL3109577)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C32H35F3N2O4/c1-18-29-27(10-8-24-7-5-21(16-36-24)19-3-2-4-23(14-19)32(33,34)35)26-9-6-20(30(39)37-12-11-25(38)17-37)13-22(26)15-28(29)31(40)41-18/h2-5,7-8,10,14,16,18,20,22,25-29,38H,6,9,11-13,15,17H2,1H3/b10-8+/t18-,20-,22+,25+,26-,27+,28-,29+/m1/s1
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384n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50020148
PNG
(CHEMBL3288446)
Show SMILES [H][C@@]12C[C@]3([H])C[C@@]4(CNC(=O)O4)CC[C@@]3([H])[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@]1([H])[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C29H29F3N2O4/c1-16-25-23(8-7-21-6-5-18(14-33-21)17-3-2-4-20(11-17)29(30,31)32)22-9-10-28(15-34-27(36)38-28)13-19(22)12-24(25)26(35)37-16/h2-8,11,14,16,19,22-25H,9-10,12-13,15H2,1H3,(H,34,36)/b8-7+/t16-,19-,22-,23+,24-,25+,28-/m1/s1
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392n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 5: 561-5 (2014)


Article DOI: 10.1021/ml500008w
BindingDB Entry DOI: 10.7270/Q2B859NM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380022
PNG
(CHEMBL2012509)
Show SMILES CC[C@@H]1[C@@H](C)C[C@]2(O)[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccsc1 |r|
Show InChI InChI=1S/C23H27NO3S/c1-4-19-14(2)11-23(26)21(15(3)27-22(23)25)20(19)8-7-18-6-5-16(12-24-18)17-9-10-28-13-17/h5-10,12-15,19-21,26H,4,11H2,1-3H3/b8-7+/t14-,15+,19+,20-,21-,23-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380014
PNG
(CHEMBL2012500)
Show SMILES CC[C@@H]1[C@@H](C)C[C@]2(O)[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H29NO3/c1-4-21-16(2)14-25(28)23(17(3)29-24(25)27)22(21)13-12-20-11-10-19(15-26-20)18-8-6-5-7-9-18/h5-13,15-17,21-23,28H,4,14H2,1-3H3/b13-12+/t16-,17+,21+,22-,23-,25-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
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
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380018
PNG
(CHEMBL2012505)
Show SMILES CC[C@@H]1[C@@H](C)C[C@]2(O)[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccccc1OC |r|
Show InChI InChI=1S/C26H31NO4/c1-5-20-16(2)14-26(29)24(17(3)31-25(26)28)22(20)13-12-19-11-10-18(15-27-19)21-8-6-7-9-23(21)30-4/h6-13,15-17,20,22,24,29H,5,14H2,1-4H3/b13-12+/t16-,17+,20+,22-,24-,26-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380023
PNG
(CHEMBL2012510)
Show SMILES CC[C@@H]1[C@@H](C)C[C@]2(O)[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccoc1 |r|
Show InChI InChI=1S/C23H27NO4/c1-4-19-14(2)11-23(26)21(15(3)28-22(23)25)20(19)8-7-18-6-5-16(12-24-18)17-9-10-27-13-17/h5-10,12-15,19-21,26H,4,11H2,1-3H3/b8-7+/t14-,15+,19+,20-,21-,23-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380004
PNG
(CHEMBL2012489)
Show SMILES CC[C@@H]1[C@@H](C)C[C@@H]2[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H29NO2/c1-4-21-16(2)14-23-24(17(3)28-25(23)27)22(21)13-12-20-11-10-19(15-26-20)18-8-6-5-7-9-18/h5-13,15-17,21-24H,4,14H2,1-3H3/b13-12+/t16-,17+,21+,22-,23+,24-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
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))
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
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))
BDBM50380012
PNG
(CHEMBL2012497)
Show SMILES CC[C@@H]1[C@@H](C)C[C@@H]2[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C25H27Cl2NO2/c1-4-18-14(2)12-21-23(15(3)30-25(21)29)20(18)11-10-17-9-8-16(13-28-17)19-6-5-7-22(26)24(19)27/h5-11,13-15,18,20-21,23H,4,12H2,1-3H3/b11-10+/t14-,15+,18+,20-,21+,23-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50380006
PNG
(CHEMBL2012491)
Show SMILES CC[C@@H]1[C@@H](C)C[C@@H]2[C@@H]([C@@H](C)OC2=O)[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C25H28FNO2/c1-4-21-15(2)12-23-24(16(3)29-25(23)28)22(21)11-10-20-9-8-18(14-27-20)17-6-5-7-19(26)13-17/h5-11,13-16,21-24H,4,12H2,1-3H3/b11-10+/t15-,16+,21+,22-,23+,24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting


Bioorg Med Chem Lett 22: 2544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.138
BindingDB Entry DOI: 10.7270/Q20G3M58
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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