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PubMed code 10021945

Compile data set for download or QSAR
Found 8 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


(Homo sapiens (Human))		BDBM50073994
PNG
((S)-2-{(S)-2-[(S)-2-{(S)-3-(4-Fluoro-phenyl)-2-[(E...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O |w:36.38|
Show InChI InChI=1S/C40H51FN10O6/c1-24(2)21-31(35(53)49-30(38(56)57)9-6-20-46-39(42)43)50-37(55)33(23-27-12-17-29(18-13-27)47-40(44)45)51-36(54)32(22-26-10-15-28(41)16-11-26)48-34(52)19-14-25-7-4-3-5-8-25/h3-5,7-8,10-19,24,30-33H,6,9,20-23H2,1-2H3,(H,48,52)(H,49,53)(H,50,55)(H,51,54)(H,56,57)(H4,42,43,46)(H4,44,45,47)/t30-,31-,32-,33-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50074001
PNG
((S)-2-((S)-2-{(S)-3-(4-Benzoyl-phenyl)-2-[(S)-2-{(...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](-[#8])=O |w:70.74|
Show InChI InChI=1S/C58H67FN12O9/c1-2-49(72)64-31-10-16-45(56(79)80)69-52(75)44(15-9-32-65-57(60)61)68-54(77)47(34-37-17-24-41(25-18-37)51(74)40-13-7-4-8-14-40)71-55(78)48(35-39-21-28-43(29-22-39)66-58(62)63)70-53(76)46(33-38-19-26-42(59)27-20-38)67-50(73)30-23-36-11-5-3-6-12-36/h3-8,11-14,17-30,44-48H,2,9-10,15-16,31-35H2,1H3,(H,64,72)(H,67,73)(H,68,77)(H,69,75)(H,70,76)(H,71,78)(H,79,80)(H4,60,61,65)(H4,62,63,66)/t44-,45-,46-,47-,48-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50073996
PNG
((S)-2-{(S)-2-[(S)-2-[(S)-2-[3-(4-Benzoyl-phenyl)-p...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C47H57FN10O7/c1-28(2)25-37(42(61)56-36(45(64)65)9-6-24-53-46(49)50)57-44(63)39(27-31-14-21-35(22-15-31)54-47(51)52)58-43(62)38(26-30-12-19-34(48)20-13-30)55-40(59)23-16-29-10-17-33(18-11-29)41(60)32-7-4-3-5-8-32/h3-5,7-8,10-15,17-22,28,36-39H,6,9,16,23-27H2,1-2H3,(H,55,59)(H,56,61)(H,57,63)(H,58,62)(H,64,65)(H4,49,50,53)(H4,51,52,54)/t36-,37-,38-,39-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50073997
PNG
((2S)-5-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[...)
Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#16]-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#7]-[#6@@H]-1-2)-[#6](-[#8])=O |w:58.62|
Show InChI InChI=1S/C65H77FN14O10S/c66-45-28-21-41(22-29-45)35-49(74-55(82)32-25-39-11-3-1-4-12-39)59(85)77-51(37-42-23-30-46(31-24-42)73-64(69)70)61(87)78-50(36-40-19-26-44(27-20-40)57(83)43-13-5-2-6-14-43)60(86)75-47(15-9-34-72-63(67)68)58(84)76-48(62(88)89)16-10-33-71-54(81)18-8-7-17-53-56-52(38-91-53)79-65(90)80-56/h1-6,11-14,19-32,47-53,56H,7-10,15-18,33-38H2,(H,71,81)(H,74,82)(H,75,86)(H,76,84)(H,77,85)(H,78,87)(H,88,89)(H4,67,68,72)(H4,69,70,73)(H2,79,80,90)/t47-,48-,49-,50-,51-,52+,53+,56+/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50074000
PNG
((S)-2-{(S)-3-(4-Benzoyl-phenyl)-2-[(S)-2-{(S)-3-(4...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(F)cc2)-[#7]-[#6](=O)-[#6]=[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O)cc1 |w:26.27|
Show InChI InChI=1S/C50H53FN10O7/c51-37-22-15-33(16-23-37)28-40(58-43(62)26-19-31-8-3-1-4-9-31)45(64)60-42(30-34-17-24-38(25-18-34)57-50(54)55)47(66)61-41(46(65)59-39(48(67)68)12-7-27-56-49(52)53)29-32-13-20-36(21-14-32)44(63)35-10-5-2-6-11-35/h1-6,8-11,13-26,39-42H,7,12,27-30H2,(H,58,62)(H,59,65)(H,60,64)(H,61,66)(H,67,68)(H4,52,53,56)(H4,54,55,57)/t39-,40-,41-,42-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50073998
PNG
((S)-2-((S)-3-(4-Benzoyl-phenyl)-2-{(S)-2-[(S)-2-{(...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](-[#8])=O |w:67.71|
Show InChI InChI=1S/C58H66FN9O9/c1-4-50(69)62-31-11-16-45(57(76)77)65-55(74)48(34-38-17-24-42(25-18-38)52(71)41-14-9-6-10-15-41)67-53(72)46(32-36(2)3)66-56(75)49(35-40-21-28-44(29-22-40)63-58(60)61)68-54(73)47(33-39-19-26-43(59)27-20-39)64-51(70)30-23-37-12-7-5-8-13-37/h5-10,12-15,17-30,36,45-49H,4,11,16,31-35H2,1-3H3,(H,62,69)(H,64,70)(H,65,74)(H,66,75)(H,67,72)(H,68,73)(H,76,77)(H4,60,61,63)/t45-,46-,47-,48-,49-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50073999
PNG
((2S)-5-{5-[(3aR,6aS)-2-oxo-hexahydro-1H-thieno[3,4...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#16]-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#7]-[#6@@H]-1-2)-[#6](-[#8])=O |w:36.38|
Show InChI InChI=1S/C65H76FN11O10S/c1-39(2)34-49(73-62(84)52(37-43-23-30-47(31-24-43)70-64(67)68)75-60(82)50(35-42-21-28-46(66)29-22-42)71-56(79)32-25-40-12-5-3-6-13-40)59(81)74-51(36-41-19-26-45(27-20-41)58(80)44-14-7-4-8-15-44)61(83)72-48(63(85)86)16-11-33-69-55(78)18-10-9-17-54-57-53(38-88-54)76-65(87)77-57/h3-8,12-15,19-32,39,48-54,57H,9-11,16-18,33-38H2,1-2H3,(H,69,78)(H,71,79)(H,72,83)(H,73,84)(H,74,81)(H,75,82)(H,85,86)(H4,67,68,70)(H2,76,77,87)/t48-,49-,50-,51-,52-,53+,54?,57+/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50073995
PNG
((S)-3-(4-Benzoyl-phenyl)-2-{(S)-2-[(S)-2-{(S)-3-(4...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#6](-[#8])=O |w:36.38|
Show InChI InChI=1S/C50H52FN7O7/c1-31(2)27-40(46(61)58-43(49(64)65)30-33-13-20-37(21-14-33)45(60)36-11-7-4-8-12-36)56-48(63)42(29-35-17-24-39(25-18-35)54-50(52)53)57-47(62)41(28-34-15-22-38(51)23-16-34)55-44(59)26-19-32-9-5-3-6-10-32/h3-26,31,40-43H,27-30H2,1-2H3,(H,55,59)(H,56,63)(H,57,62)(H,58,61)(H,64,65)(H4,52,53,54)/t40-,41-,42-,43-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University at Stony Brook

Curated by ChEMBL


Assay Description
Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation

Bioorg Med Chem Lett 9: 279-84 (1999)


BindingDB Entry DOI: 10.7270/Q247492D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%