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PubMed code 22405832

Compile data set for download or QSAR
Found 24 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))
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
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 (PAR1)


(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
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 (PAR1)


(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
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 (PAR1)


(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
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 (PAR1)


(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
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
Proteinase-activated receptor 1 (PAR1)


(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
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 (PAR1)


(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
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 (PAR1)


(Homo sapiens (Human))
BDBM50380019
PNG
(CHEMBL2012506)
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)-c1cccc(OC)c1
Show InChI InChI=1S/C26H31NO4/c1-5-22-16(2)14-26(29)24(17(3)31-25(26)28)23(22)12-11-20-10-9-19(15-27-20)18-7-6-8-21(13-18)30-4/h6-13,15-17,22-24,29H,5,14H2,1-4H3/b12-11+/t16-,17+,22+,23-,24-,26-/m0/s1
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n/an/a 18n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380009
PNG
(CHEMBL2012494)
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)-c1ccccc1C
Show InChI InChI=1S/C26H31NO2/c1-5-21-17(3)14-24-25(18(4)29-26(24)28)23(21)13-12-20-11-10-19(15-27-20)22-9-7-6-8-16(22)2/h6-13,15,17-18,21,23-25H,5,14H2,1-4H3/b13-12+/t17-,18+,21+,23-,24+,25-/m0/s1
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n/an/a 20n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380017
PNG
(CHEMBL2012503)
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)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H28N2O3/c1-4-22-16(2)13-26(30)24(17(3)31-25(26)29)23(22)11-10-21-9-8-20(15-28-21)19-7-5-6-18(12-19)14-27/h5-12,15-17,22-24,30H,4,13H2,1-3H3/b11-10+/t16-,17+,22+,23-,24-,26-/m0/s1
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n/an/a 20n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380011
PNG
(CHEMBL2012496)
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(c1)C#N
Show InChI InChI=1S/C26H28N2O2/c1-4-22-16(2)12-24-25(17(3)30-26(24)29)23(22)11-10-21-9-8-20(15-28-21)19-7-5-6-18(13-19)14-27/h5-11,13,15-17,22-25H,4,12H2,1-3H3/b11-10+/t16-,17+,22+,23-,24+,25-/m0/s1
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n/an/a 21n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380005
PNG
(CHEMBL2012490)
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)-c1ccccc1F
Show InChI InChI=1S/C25H28FNO2/c1-4-19-15(2)13-22-24(16(3)29-25(22)28)21(19)12-11-18-10-9-17(14-27-18)20-7-5-6-8-23(20)26/h5-12,14-16,19,21-22,24H,4,13H2,1-3H3/b12-11+/t15-,16+,19+,21-,22+,24-/m0/s1
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n/an/a 22n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380003
PNG
(CHEMBL2012488)
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(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3NO2/c1-4-21-15(2)12-23-24(16(3)32-25(23)31)22(21)11-10-20-9-8-18(14-30-20)17-6-5-7-19(13-17)26(27,28)29/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 24n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380007
PNG
(CHEMBL2012492)
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)-c1ccccc1Cl
Show InChI InChI=1S/C25H28ClNO2/c1-4-19-15(2)13-22-24(16(3)29-25(22)28)21(19)12-11-18-10-9-17(14-27-18)20-7-5-6-8-23(20)26/h5-12,14-16,19,21-22,24H,4,13H2,1-3H3/b12-11+/t15-,16+,19+,21-,22+,24-/m0/s1
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n/an/a 25n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380013
PNG
(CHEMBL2012499)
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)-c1cccc(F)c1
Show InChI InChI=1S/C25H28FNO3/c1-4-21-15(2)13-25(29)23(16(3)30-24(25)28)22(21)11-10-20-9-8-18(14-27-20)17-6-5-7-19(26)12-17/h5-12,14-16,21-23,29H,4,13H2,1-3H3/b11-10+/t15-,16+,21+,22-,23-,25-/m0/s1
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n/an/a 27n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380008
PNG
(CHEMBL2012493)
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)c1
Show InChI InChI=1S/C25H28ClNO2/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 28n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380015
PNG
(CHEMBL2012501)
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)-c1ccccc1C
Show InChI InChI=1S/C26H31NO3/c1-5-21-17(3)14-26(29)24(18(4)30-25(26)28)23(21)13-12-20-11-10-19(15-27-20)22-9-7-6-8-16(22)2/h6-13,15,17-18,21,23-24,29H,5,14H2,1-4H3/b13-12+/t17-,18+,21+,23-,24-,26-/m0/s1
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n/an/a 33n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380016
PNG
(CHEMBL2012502)
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)-c1cccc(C)c1
Show InChI InChI=1S/C26H31NO3/c1-5-22-17(3)14-26(29)24(18(4)30-25(26)28)23(22)12-11-21-10-9-20(15-27-21)19-8-6-7-16(2)13-19/h6-13,15,17-18,22-24,29H,5,14H2,1-4H3/b12-11+/t17-,18+,22+,23-,24-,26-/m0/s1
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n/an/a 35n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380010
PNG
(CHEMBL2012495)
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(C)c1
Show InChI InChI=1S/C26H31NO2/c1-5-22-17(3)14-24-25(18(4)29-26(24)28)23(22)12-11-21-10-9-20(15-27-21)19-8-6-7-16(2)13-19/h6-13,15,17-18,22-25H,5,14H2,1-4H3/b12-11+/t17-,18+,22+,23-,24+,25-/m0/s1
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n/an/a 45n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380021
PNG
(CHEMBL2012508)
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)-c1cccnc1
Show InChI InChI=1S/C24H28N2O3/c1-4-20-15(2)12-24(28)22(16(3)29-23(24)27)21(20)10-9-19-8-7-18(14-26-19)17-6-5-11-25-13-17/h5-11,13-16,20-22,28H,4,12H2,1-3H3/b10-9+/t15-,16+,20+,21-,22-,24-/m0/s1
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n/an/a 49n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380024
PNG
(CHEMBL2012511)
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)N1CCCC1
Show InChI InChI=1S/C23H32N2O3/c1-4-19-15(2)13-23(27)21(16(3)28-22(23)26)20(19)10-8-17-7-9-18(14-24-17)25-11-5-6-12-25/h7-10,14-16,19-21,27H,4-6,11-13H2,1-3H3/b10-8+/t15-,16+,19+,20-,21-,23-/m0/s1
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n/an/a 64n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380002
PNG
(CHEMBL2012487)
Show SMILES CC[C@@H]1[C@@H](C)C[C@@H]2[C@@H]([C@@H](C)OC2=O)[C@H]1CCc1ccc(cn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F3NO2/c1-4-21-15(2)12-23-24(16(3)32-25(23)31)22(21)11-10-20-9-8-18(14-30-20)17-6-5-7-19(13-17)26(27,28)29/h5-9,13-16,21-24H,4,10-12H2,1-3H3/t15-,16+,21+,22-,23+,24-/m0/s1
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n/an/a 225n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380020
PNG
(CHEMBL2012507)
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)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H31NO4/c1-5-22-16(2)14-26(29)24(17(3)31-25(26)28)23(22)13-10-20-9-6-19(15-27-20)18-7-11-21(30-4)12-8-18/h6-13,15-17,22-24,29H,5,14H2,1-4H3/b13-10+/t16-,17+,22+,23-,24-,26-/m0/s1
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n/an/a 451n/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 (PAR1)


(Homo sapiens (Human))
BDBM50380001
PNG
(CHEMBL2012498)
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)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C25H27Cl2NO2/c1-4-19-14(2)11-22-24(15(3)30-25(22)29)20(19)9-8-18-7-5-16(13-28-18)21-12-17(26)6-10-23(21)27/h5-10,12-15,19-20,22,24H,4,11H2,1-3H3/b9-8+/t14-,15+,19+,20-,22+,24-/m0/s1
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n/an/a 513n/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
* indicates data uncertainty>20%