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PubMed code 11514149

Compile data set for download or QSAR
Found 86 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))
BDBM50103034
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2,6-dichlor...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H48Cl2N10O3/c45-36-10-6-11-37(46)35(36)28-56-27-32(26-55-20-4-5-21-55)34-18-17-33(23-40(34)56)52-44(59)54-39(22-29-13-15-30(24-47)16-14-29)42(58)53-38(12-7-19-50-43(48)49)41(57)51-25-31-8-2-1-3-9-31/h1-3,6,8-11,13-18,23,27,38-39H,4-5,7,12,19-22,25-26,28H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t38-,39-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103029
PNG
((S)-6-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N7O3/c44-34-11-8-12-35(45)33(34)27-54-26-30(25-53-19-6-7-20-53)32-16-15-31(23-40(32)54)50-43(57)52-39(22-29-14-17-36(46)37(47)21-29)42(56)51-38(13-4-5-18-48)41(55)49-24-28-9-2-1-3-10-28/h1-3,8-12,14-17,21,23,26,38-39H,4-7,13,18-20,22,24-25,27,48H2,(H,49,55)(H,51,56)(H2,50,52,57)/t38-,39-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103015
PNG
((S)-5-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H45Cl2F2N7O3/c43-33-10-6-11-34(44)32(33)26-53-25-29(24-52-18-4-5-19-52)31-15-14-30(22-39(31)53)49-42(56)51-38(21-28-13-16-35(45)36(46)20-28)41(55)50-37(12-7-17-47)40(54)48-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26,47H2,(H,48,54)(H,50,55)(H2,49,51,56)/t37-,38-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103014
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES N\C([NH-])=[NH+]/CCCC(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49FN10O5/c44-33-14-10-31(11-15-33)26-53-28-32(27-52-21-4-5-22-52)36-19-16-34(24-39(36)53)49-43(57)51-38(23-29-12-17-35(18-13-29)54(58)59)41(56)50-37(9-6-20-47-42(45)46)40(55)48-25-30-7-2-1-3-8-30/h1-3,7-8,10-19,24,28,37-38H,4-6,9,20-23,25-27H2,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 130n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103038
PNG
((S)-2-[(S)-2-{3-[1-(2-Chloro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56ClN9O4/c1-60-37-20-17-33(18-21-37)27-41(44(58)53-40(16-10-24-51-45(48)49)43(57)50-23-9-13-32-11-3-2-4-12-32)54-46(59)52-36-19-22-38-35(29-55-25-7-8-26-55)31-56(42(38)28-36)30-34-14-5-6-15-39(34)47/h2-6,11-12,14-15,17-22,28,31,40-41H,7-10,13,16,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103025
PNG
((S)-5-Guanidino-2-[(S)-2-{3-[1-(2-methyl-benzyl)-3...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)NC(Cc3ccc(cc3)[N+]([O-])=O)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C44H52N10O5/c1-30-10-5-6-13-33(30)28-53-29-34(27-52-22-7-8-23-52)37-20-17-35(25-40(37)53)49-44(57)51-39(24-31-15-18-36(19-16-31)54(58)59)42(56)50-38(14-9-21-47-43(45)46)41(55)48-26-32-11-3-2-4-12-32/h2-6,10-13,15-20,25,29,38-39H,7-9,14,21-24,26-28H2,1H3,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 150n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103016
PNG
(4-Amino-N-benzyl-2-[(S)-2-{3-[1-(2,6-dichloro-benz...)
Show SMILES NCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36?,37-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098212
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N9O3/c44-33-10-6-11-34(45)32(33)26-56-25-29(24-55-18-4-5-19-55)31-15-14-30(22-39(31)56)52-43(59)54-38(21-28-13-16-35(46)36(47)20-28)41(58)53-37(12-7-17-50-42(48)49)40(57)51-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t37-,38-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103024
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C47H59N9O4/c1-33-12-6-7-16-36(33)31-56-32-37(30-55-26-8-9-27-55)40-23-20-38(29-43(40)56)52-47(59)54-42(28-35-18-21-39(60-2)22-19-35)45(58)53-41(17-11-25-51-46(48)49)44(57)50-24-10-15-34-13-4-3-5-14-34/h3-7,12-14,16,18-23,29,32,41-42H,8-11,15,17,24-28,30-31H2,1-2H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103017
PNG
((S)-N-[1-Benzylcarbamoyl-2-(3H-imidazol-4-yl)-ethy...)
Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NC(Cc2cnc[nH]2)C(=O)NCc2ccccc2)cc1F
Show InChI InChI=1S/C43H42Cl2F2N8O3/c44-34-9-6-10-35(45)33(34)25-55-24-29(23-54-15-4-5-16-54)32-13-12-30(20-40(32)55)51-43(58)53-38(18-28-11-14-36(46)37(47)17-28)42(57)52-39(19-31-22-48-26-50-31)41(56)49-21-27-7-2-1-3-8-27/h1-3,6-14,17,20,22,24,26,38-39H,4-5,15-16,18-19,21,23,25H2,(H,48,50)(H,49,56)(H,52,57)(H2,51,53,58)/t38-,39?/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103020
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(3-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2cccc(C)c2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)31-37-32-56(30-36-16-10-13-33(3)27-36)43-29-38(21-24-40(37)43)52-47(59)54-42(28-35-19-22-39(60-4)23-20-35)45(58)53-41(18-12-26-51-46(48)49)44(57)50-25-11-17-34-14-8-7-9-15-34/h7-10,13-16,19-24,27,29,32,41-42H,5-6,11-12,17-18,25-26,28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103018
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(2-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccccc2C)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)30-37-32-56(31-36-18-11-10-14-33(36)3)43-29-38(22-25-40(37)43)52-47(59)54-42(28-35-20-23-39(60-4)24-21-35)45(58)53-41(19-13-27-51-46(48)49)44(57)50-26-12-17-34-15-8-7-9-16-34/h7-11,14-16,18,20-25,29,32,41-42H,5-6,12-13,17,19,26-28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103036
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)NCCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H46Cl2F2N8O4/c44-33-10-6-11-34(45)32(33)26-55-25-29(24-54-18-4-5-19-54)31-15-14-30(22-39(31)55)51-43(59)53-38(21-28-13-16-35(46)36(47)20-28)41(57)52-37(12-7-17-49-42(48)58)40(56)50-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,50,56)(H,52,57)(H3,48,49,58)(H2,51,53,59)/t37?,38-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098218
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H52FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50098211
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103029
PNG
((S)-6-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N7O3/c44-34-11-8-12-35(45)33(34)27-54-26-30(25-53-19-6-7-20-53)32-16-15-31(23-40(32)54)50-43(57)52-39(22-29-14-17-36(46)37(47)21-29)42(56)51-38(13-4-5-18-48)41(55)49-24-28-9-2-1-3-10-28/h1-3,8-12,14-17,21,23,26,38-39H,4-7,13,18-20,22,24-25,27,48H2,(H,49,55)(H,51,56)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103036
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)NCCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H46Cl2F2N8O4/c44-33-10-6-11-34(45)32(33)26-55-25-29(24-54-18-4-5-19-54)31-15-14-30(22-39(31)55)51-43(59)53-38(21-28-13-16-35(46)36(47)20-28)41(57)52-37(12-7-17-49-42(48)58)40(56)50-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,50,56)(H,52,57)(H3,48,49,58)(H2,51,53,59)/t37?,38-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103026
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C48H61N9O4/c1-34-13-7-8-17-37(34)32-57-33-38(31-56-27-9-4-10-28-56)41-24-21-39(30-44(41)57)53-48(60)55-43(29-36-19-22-40(61-2)23-20-36)46(59)54-42(18-12-26-52-47(49)50)45(58)51-25-11-16-35-14-5-3-6-15-35/h3,5-8,13-15,17,19-24,30,33,42-43H,4,9-12,16,18,25-29,31-32H2,1-2H3,(H,51,58)(H,54,59)(H4,49,50,52)(H2,53,55,60)/t42-,43-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103016
PNG
(4-Amino-N-benzyl-2-[(S)-2-{3-[1-(2,6-dichloro-benz...)
Show SMILES NCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36?,37-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103038
PNG
((S)-2-[(S)-2-{3-[1-(2-Chloro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56ClN9O4/c1-60-37-20-17-33(18-21-37)27-41(44(58)53-40(16-10-24-51-45(48)49)43(57)50-23-9-13-32-11-3-2-4-12-32)54-46(59)52-36-19-22-38-35(29-55-25-7-8-26-55)31-56(42(38)28-36)30-34-14-5-6-15-39(34)47/h2-6,11-12,14-15,17-22,28,31,40-41H,7-10,13,16,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103037
PNG
((S)-2-[(S)-2-{3-[3-Azetidin-1-ylmethyl-1-(4-fluoro...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C43H50FN9O4/c1-57-35-17-12-29(13-18-35)23-38(41(55)50-37(9-5-20-47-42(45)46)40(54)48-25-30-7-3-2-4-8-30)51-43(56)49-34-16-19-36-32(27-52-21-6-22-52)28-53(39(36)24-34)26-31-10-14-33(44)15-11-31/h2-4,7-8,10-19,24,28,37-38H,5-6,9,20-23,25-27H2,1H3,(H,48,54)(H,50,55)(H4,45,46,47)(H2,49,51,56)/t37-,38-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103028
PNG
(CHEMBL305188 | N-Benzyl-2-[(S)-2-{3-[1-(2,6-dichlo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H44Cl2F2N6O3S/c1-56-19-16-37(40(53)47-23-27-8-3-2-4-9-27)49-41(54)38(21-28-12-15-35(45)36(46)20-28)50-42(55)48-30-13-14-31-29(24-51-17-5-6-18-51)25-52(39(31)22-30)26-32-33(43)10-7-11-34(32)44/h2-4,7-15,20,22,25,37-38H,5-6,16-19,21,23-24,26H2,1H3,(H,47,53)(H,49,54)(H2,48,50,55)/t37?,38-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103016
PNG
(4-Amino-N-benzyl-2-[(S)-2-{3-[1-(2,6-dichloro-benz...)
Show SMILES NCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36?,37-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103017
PNG
((S)-N-[1-Benzylcarbamoyl-2-(3H-imidazol-4-yl)-ethy...)
Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NC(Cc2cnc[nH]2)C(=O)NCc2ccccc2)cc1F
Show InChI InChI=1S/C43H42Cl2F2N8O3/c44-34-9-6-10-35(45)33(34)25-55-24-29(23-54-15-4-5-16-54)32-13-12-30(20-40(32)55)51-43(58)53-38(18-28-11-14-36(46)37(47)17-28)42(57)52-39(19-31-22-48-26-50-31)41(56)49-21-27-7-2-1-3-8-27/h1-3,6-14,17,20,22,24,26,38-39H,4-5,15-16,18-19,21,23,25H2,(H,48,50)(H,49,56)(H,52,57)(H2,51,53,58)/t38-,39?/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103034
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2,6-dichlor...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H48Cl2N10O3/c45-36-10-6-11-37(46)35(36)28-56-27-32(26-55-20-4-5-21-55)34-18-17-33(23-40(34)56)52-44(59)54-39(22-29-13-15-30(24-47)16-14-29)42(58)53-38(12-7-19-50-43(48)49)41(57)51-25-31-8-2-1-3-9-31/h1-3,6,8-11,13-18,23,27,38-39H,4-5,7,12,19-22,25-26,28H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t38-,39-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103021
PNG
((S)-N-(2-Amino-1-benzylcarbamoyl-ethyl)-2-{3-[1-(2...)
Show SMILES NCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H41Cl2F2N7O3/c41-31-9-6-10-32(42)30(31)24-51-23-27(22-50-15-4-5-16-50)29-13-12-28(19-37(29)51)47-40(54)49-35(18-26-11-14-33(43)34(44)17-26)39(53)48-36(20-45)38(52)46-21-25-7-2-1-3-8-25/h1-3,6-14,17,19,23,35-36H,4-5,15-16,18,20-22,24,45H2,(H,46,52)(H,48,53)(H2,47,49,54)/t35-,36?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103015
PNG
((S)-5-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H45Cl2F2N7O3/c43-33-10-6-11-34(44)32(33)26-53-25-29(24-52-18-4-5-19-52)31-15-14-30(22-39(31)53)49-42(56)51-38(21-28-13-16-35(45)36(46)20-28)41(55)50-37(12-7-17-47)40(54)48-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26,47H2,(H,48,54)(H,50,55)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098212
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N9O3/c44-33-10-6-11-34(45)32(33)26-56-25-29(24-55-18-4-5-19-55)31-15-14-30(22-39(31)56)52-43(59)54-38(21-28-13-16-35(46)36(47)20-28)41(58)53-37(12-7-17-50-42(48)49)40(57)51-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t37-,38-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103015
PNG
((S)-5-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H45Cl2F2N7O3/c43-33-10-6-11-34(44)32(33)26-53-25-29(24-52-18-4-5-19-52)31-15-14-30(22-39(31)53)49-42(56)51-38(21-28-13-16-35(45)36(46)20-28)41(55)50-37(12-7-17-47)40(54)48-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26,47H2,(H,48,54)(H,50,55)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103035
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56FN9O4/c1-60-38-20-15-33(16-21-38)27-41(44(58)53-40(12-8-24-51-45(48)49)43(57)50-23-7-11-32-9-3-2-4-10-32)54-46(59)52-37-19-22-39-35(30-55-25-5-6-26-55)31-56(42(39)28-37)29-34-13-17-36(47)18-14-34/h2-4,9-10,13-22,28,31,40-41H,5-8,11-12,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103033
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2-methyl-be...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc(cc3)C#N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C45H52N10O3/c1-31-10-5-6-13-35(31)29-55-30-36(28-54-22-7-8-23-54)38-20-19-37(25-41(38)55)51-45(58)53-40(24-32-15-17-33(26-46)18-16-32)43(57)52-39(14-9-21-49-44(47)48)42(56)50-27-34-11-3-2-4-12-34/h2-6,10-13,15-20,25,30,39-40H,7-9,14,21-24,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103033
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2-methyl-be...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc(cc3)C#N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C45H52N10O3/c1-31-10-5-6-13-35(31)29-55-30-36(28-54-22-7-8-23-54)38-20-19-37(25-41(38)55)51-45(58)53-40(24-32-15-17-33(26-46)18-16-32)43(57)52-39(14-9-21-49-44(47)48)42(56)50-27-34-11-3-2-4-12-34/h2-6,10-13,15-20,25,30,39-40H,7-9,14,21-24,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103031
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C44H58FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103029
PNG
((S)-6-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N7O3/c44-34-11-8-12-35(45)33(34)27-54-26-30(25-53-19-6-7-20-53)32-16-15-31(23-40(32)54)50-43(57)52-39(22-29-14-17-36(46)37(47)21-29)42(56)51-38(13-4-5-18-48)41(55)49-24-28-9-2-1-3-10-28/h1-3,8-12,14-17,21,23,26,38-39H,4-7,13,18-20,22,24-25,27,48H2,(H,49,55)(H,51,56)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103026
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C48H61N9O4/c1-34-13-7-8-17-37(34)32-57-33-38(31-56-27-9-4-10-28-56)41-24-21-39(30-44(41)57)53-48(60)55-43(29-36-19-22-40(61-2)23-20-36)46(59)54-42(18-12-26-52-47(49)50)45(58)51-25-11-16-35-14-5-3-6-15-35/h3,5-8,13-15,17,19-24,30,33,42-43H,4,9-12,16,18,25-29,31-32H2,1-2H3,(H,51,58)(H,54,59)(H4,49,50,52)(H2,53,55,60)/t42-,43-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103025
PNG
((S)-5-Guanidino-2-[(S)-2-{3-[1-(2-methyl-benzyl)-3...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)NC(Cc3ccc(cc3)[N+]([O-])=O)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C44H52N10O5/c1-30-10-5-6-13-33(30)28-53-29-34(27-52-22-7-8-23-52)37-20-17-35(25-40(37)53)49-44(57)51-39(24-31-15-18-36(19-16-31)54(58)59)42(56)50-38(14-9-21-47-43(45)46)41(55)48-26-32-11-3-2-4-12-32/h2-6,10-13,15-20,25,29,38-39H,7-9,14,21-24,26-28H2,1H3,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 800n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098212
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H47Cl2F2N9O3/c44-33-10-6-11-34(45)32(33)26-56-25-29(24-55-18-4-5-19-55)31-15-14-30(22-39(31)56)52-43(59)54-38(21-28-13-16-35(46)36(47)20-28)41(58)53-37(12-7-17-50-42(48)49)40(57)51-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t37-,38-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103022
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4cccc(C)c4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H63N9O4/c1-32-11-9-14-35(25-32)29-55-31-36(30-54-23-7-4-8-24-54)39-21-18-37(27-42(39)55)51-46(58)53-41(26-33-16-19-38(59-2)20-17-33)44(57)52-40(15-10-22-49-45(47)48)43(56)50-28-34-12-5-3-6-13-34/h9,11,14,16-21,25,27,31,34,40-41H,3-8,10,12-13,15,22-24,26,28-30H2,1-2H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t40-,41-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098211
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103030
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(4-fluoro-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccc(F)cc2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC3CCCCC3)ccc12
Show InChI InChI=1S/C44H60FN9O4/c1-4-53(5-2)28-33-29-54(27-32-13-17-34(45)18-14-32)40-25-35(19-22-37(33)40)50-44(57)52-39(24-30-15-20-36(58-3)21-16-30)42(56)51-38(12-9-23-48-43(46)47)41(55)49-26-31-10-7-6-8-11-31/h13-22,25,29,31,38-39H,4-12,23-24,26-28H2,1-3H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103021
PNG
((S)-N-(2-Amino-1-benzylcarbamoyl-ethyl)-2-{3-[1-(2...)
Show SMILES NCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H41Cl2F2N7O3/c41-31-9-6-10-32(42)30(31)24-51-23-27(22-50-15-4-5-16-50)29-13-12-28(19-37(29)51)47-40(54)49-35(18-26-11-14-33(43)34(44)17-26)39(53)48-36(20-45)38(52)46-21-25-7-2-1-3-8-25/h1-3,6-14,17,19,23,35-36H,4-5,15-16,18,20-22,24,45H2,(H,46,52)(H,48,53)(H2,47,49,54)/t35-,36?/m0/s1
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n/an/a 900n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103021
PNG
((S)-N-(2-Amino-1-benzylcarbamoyl-ethyl)-2-{3-[1-(2...)
Show SMILES NCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H41Cl2F2N7O3/c41-31-9-6-10-32(42)30(31)24-51-23-27(22-50-15-4-5-16-50)29-13-12-28(19-37(29)51)47-40(54)49-35(18-26-11-14-33(43)34(44)17-26)39(53)48-36(20-45)38(52)46-21-25-7-2-1-3-8-25/h1-3,6-14,17,19,23,35-36H,4-5,15-16,18,20-22,24,45H2,(H,46,52)(H,48,53)(H2,47,49,54)/t35-,36?/m0/s1
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n/an/a 920n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103024
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C47H59N9O4/c1-33-12-6-7-16-36(33)31-56-32-37(30-55-26-8-9-27-55)40-23-20-38(29-43(40)56)52-47(59)54-42(28-35-18-21-39(60-2)22-19-35)45(58)53-41(17-11-25-51-46(48)49)44(57)50-24-10-15-34-13-4-3-5-14-34/h3-7,12-14,16,18-23,29,32,41-42H,8-11,15,17,24-28,30-31H2,1-2H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103027
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-piperidin-1...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H60FN9O4/c1-59-37-19-14-31(15-20-37)25-40(43(57)52-39(11-8-22-49-44(47)48)42(56)50-27-32-9-4-2-5-10-32)53-45(58)51-36-18-21-38-34(29-54-23-6-3-7-24-54)30-55(41(38)26-36)28-33-12-16-35(46)17-13-33/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103024
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C47H59N9O4/c1-33-12-6-7-16-36(33)31-56-32-37(30-55-26-8-9-27-55)40-23-20-38(29-43(40)56)52-47(59)54-42(28-35-18-21-39(60-2)22-19-35)45(58)53-41(17-11-25-51-46(48)49)44(57)50-24-10-15-34-13-4-3-5-14-34/h3-7,12-14,16,18-23,29,32,41-42H,8-11,15,17,24-28,30-31H2,1-2H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103014
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES N\C([NH-])=[NH+]/CCCC(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49FN10O5/c44-33-14-10-31(11-15-33)26-53-28-32(27-52-21-4-5-22-52)36-19-16-34(24-39(36)53)49-43(57)51-38(23-29-12-17-35(18-13-29)54(58)59)41(56)50-37(9-6-20-47-42(45)46)40(55)48-25-30-7-2-1-3-8-30/h1-3,7-8,10-19,24,28,37-38H,4-6,9,20-23,25-27H2,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098211
PNG
((S)-2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrroli...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H51Cl2N9O4/c1-59-33-17-14-29(15-18-33)23-39(42(57)52-38(13-8-20-49-43(47)48)41(56)50-25-30-9-3-2-4-10-30)53-44(58)51-32-16-19-34-31(26-54-21-5-6-22-54)27-55(40(34)24-32)28-35-36(45)11-7-12-37(35)46/h2-4,7,9-12,14-19,24,27,38-39H,5-6,8,13,20-23,25-26,28H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t38-,39-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103017
PNG
((S)-N-[1-Benzylcarbamoyl-2-(3H-imidazol-4-yl)-ethy...)
Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NC(Cc2cnc[nH]2)C(=O)NCc2ccccc2)cc1F
Show InChI InChI=1S/C43H42Cl2F2N8O3/c44-34-9-6-10-35(45)33(34)25-55-24-29(23-54-15-4-5-16-54)32-13-12-30(20-40(32)55)51-43(58)53-38(18-28-11-14-36(46)37(47)17-28)42(57)52-39(19-31-22-48-26-50-31)41(56)49-21-27-7-2-1-3-8-27/h1-3,6-14,17,20,22,24,26,38-39H,4-5,15-16,18-19,21,23,25H2,(H,48,50)(H,49,56)(H,52,57)(H2,51,53,58)/t38-,39?/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103020
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(3-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2cccc(C)c2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)31-37-32-56(30-36-16-10-13-33(3)27-36)43-29-38(21-24-40(37)43)52-47(59)54-42(28-35-19-22-39(60-4)23-20-35)45(58)53-41(18-12-26-51-46(48)49)44(57)50-25-11-17-34-14-8-7-9-15-34/h7-10,13-16,19-24,27,29,32,41-42H,5-6,11-12,17-18,25-26,28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103025
PNG
((S)-5-Guanidino-2-[(S)-2-{3-[1-(2-methyl-benzyl)-3...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)NC(Cc3ccc(cc3)[N+]([O-])=O)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C44H52N10O5/c1-30-10-5-6-13-33(30)28-53-29-34(27-52-22-7-8-23-52)37-20-17-35(25-40(37)53)49-44(57)51-39(24-31-15-18-36(19-16-31)54(58)59)42(56)50-38(14-9-21-47-43(45)46)41(55)48-26-32-11-3-2-4-12-32/h2-6,10-13,15-20,25,29,38-39H,7-9,14,21-24,26-28H2,1H3,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103035
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56FN9O4/c1-60-38-20-15-33(16-21-38)27-41(44(58)53-40(12-8-24-51-45(48)49)43(57)50-23-7-11-32-9-3-2-4-10-32)54-46(59)52-37-19-22-39-35(30-55-25-5-6-26-55)31-56(42(39)28-37)29-34-13-17-36(47)18-14-34/h2-4,9-10,13-22,28,31,40-41H,5-8,11-12,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103032
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)CCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H43Cl2F2N7O4/c43-32-9-6-10-33(44)31(32)25-53-24-28(23-52-17-4-5-18-52)30-13-12-29(21-38(30)53)49-42(57)51-37(20-27-11-14-34(45)35(46)19-27)41(56)50-36(15-16-39(47)54)40(55)48-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25H2,(H2,47,54)(H,48,55)(H,50,56)(H2,49,51,57)/t36?,37-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103036
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)NCCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H46Cl2F2N8O4/c44-33-10-6-11-34(45)32(33)26-55-25-29(24-54-18-4-5-19-54)31-15-14-30(22-39(31)55)51-43(59)53-38(21-28-13-16-35(46)36(47)20-28)41(57)52-37(12-7-17-49-42(48)58)40(56)50-23-27-8-2-1-3-9-27/h1-3,6,8-11,13-16,20,22,25,37-38H,4-5,7,12,17-19,21,23-24,26H2,(H,50,56)(H,52,57)(H3,48,49,58)(H2,51,53,59)/t37?,38-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103032
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)CCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H43Cl2F2N7O4/c43-32-9-6-10-33(44)31(32)25-53-24-28(23-52-17-4-5-18-52)30-13-12-29(21-38(30)53)49-42(57)51-37(20-27-11-14-34(45)35(46)19-27)41(56)50-36(15-16-39(47)54)40(55)48-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25H2,(H2,47,54)(H,48,55)(H,50,56)(H2,49,51,57)/t36?,37-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098218
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H52FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103027
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-piperidin-1...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H60FN9O4/c1-59-37-19-14-31(15-20-37)25-40(43(57)52-39(11-8-22-49-44(47)48)42(56)50-27-32-9-4-2-5-10-32)53-45(58)51-36-18-21-38-34(29-54-23-6-3-7-24-54)30-55(41(38)26-36)28-33-12-16-35(46)17-13-33/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50098218
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H52FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h2-4,8-9,11-20,25,29,38-39H,5-7,10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103018
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(2-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccccc2C)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)30-37-32-56(31-36-18-11-10-14-33(36)3)43-29-38(22-25-40(37)43)52-47(59)54-42(28-35-20-23-39(60-4)24-21-35)45(58)53-41(19-13-27-51-46(48)49)44(57)50-26-12-17-34-15-8-7-9-16-34/h7-11,14-16,18,20-25,29,32,41-42H,5-6,12-13,17,19,26-28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103019
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H58F3N9O5/c1-61-35-16-11-30(12-17-35)24-39(42(59)54-38(10-7-21-51-43(49)50)41(58)52-26-31-8-3-2-4-9-31)55-44(60)53-34-15-20-37-33(28-56-22-5-6-23-56)29-57(40(37)25-34)27-32-13-18-36(19-14-32)62-45(46,47)48/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103031
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C44H58FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103038
PNG
((S)-2-[(S)-2-{3-[1-(2-Chloro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56ClN9O4/c1-60-37-20-17-33(18-21-37)27-41(44(58)53-40(16-10-24-51-45(48)49)43(57)50-23-9-13-32-11-3-2-4-12-32)54-46(59)52-36-19-22-38-35(29-55-25-7-8-26-55)31-56(42(38)28-36)30-34-14-5-6-15-39(34)47/h2-6,11-12,14-15,17-22,28,31,40-41H,7-10,13,16,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103020
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(3-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2cccc(C)c2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)31-37-32-56(30-36-16-10-13-33(3)27-36)43-29-38(21-24-40(37)43)52-47(59)54-42(28-35-19-22-39(60-4)23-20-35)45(58)53-41(18-12-26-51-46(48)49)44(57)50-25-11-17-34-14-8-7-9-15-34/h7-10,13-16,19-24,27,29,32,41-42H,5-6,11-12,17-18,25-26,28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103018
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(2-methyl-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccccc2C)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc3ccccc3)ccc12
Show InChI InChI=1S/C47H61N9O4/c1-5-55(6-2)30-37-32-56(31-36-18-11-10-14-33(36)3)43-29-38(22-25-40(37)43)52-47(59)54-42(28-35-20-23-39(60-4)24-21-35)45(58)53-41(19-13-27-51-46(48)49)44(57)50-26-12-17-34-15-8-7-9-16-34/h7-11,14-16,18,20-25,29,32,41-42H,5-6,12-13,17,19,26-28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103030
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(4-fluoro-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccc(F)cc2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC3CCCCC3)ccc12
Show InChI InChI=1S/C44H60FN9O4/c1-4-53(5-2)28-33-29-54(27-32-13-17-34(45)18-14-32)40-25-35(19-22-37(33)40)50-44(57)52-39(24-30-15-20-36(58-3)21-16-30)42(56)51-38(12-9-23-48-43(46)47)41(55)49-26-31-10-7-6-8-11-31/h13-22,25,29,31,38-39H,4-12,23-24,26-28H2,1-3H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103022
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4cccc(C)c4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H63N9O4/c1-32-11-9-14-35(25-32)29-55-31-36(30-54-23-7-4-8-24-54)39-21-18-37(27-42(39)55)51-46(58)53-41(26-33-16-19-38(59-2)20-17-33)44(57)52-40(15-10-22-49-45(47)48)43(56)50-28-34-12-5-3-6-13-34/h9,11,14,16-21,25,27,31,34,40-41H,3-8,10,12-13,15,22-24,26,28-30H2,1-2H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t40-,41-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103037
PNG
((S)-2-[(S)-2-{3-[3-Azetidin-1-ylmethyl-1-(4-fluoro...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C43H50FN9O4/c1-57-35-17-12-29(13-18-35)23-38(41(55)50-37(9-5-20-47-42(45)46)40(54)48-25-30-7-3-2-4-8-30)51-43(56)49-34-16-19-36-32(27-52-21-6-22-52)28-53(39(36)24-34)26-31-10-14-33(44)15-11-31/h2-4,7-8,10-19,24,28,37-38H,5-6,9,20-23,25-27H2,1H3,(H,48,54)(H,50,55)(H4,45,46,47)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103039
PNG
(4-(6-{3-[(S)-1-[(S)-1-(Cyclohexylmethyl-carbamoyl)...)
Show SMILES COC(=O)c1ccc(Cn2cc(CN3CCCC3)c3ccc(NC(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC4CCCCC4)cc23)cc1
Show InChI InChI=1S/C46H61N9O6/c1-60-37-19-14-31(15-20-37)25-40(43(57)52-39(11-8-22-49-45(47)48)42(56)50-27-32-9-4-3-5-10-32)53-46(59)51-36-18-21-38-35(29-54-23-6-7-24-54)30-55(41(38)26-36)28-33-12-16-34(17-13-33)44(58)61-2/h12-21,26,30,32,39-40H,3-11,22-25,27-29H2,1-2H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,59)/t39-,40-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103031
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C44H58FN9O4/c1-58-36-18-13-30(14-19-36)24-39(42(56)51-38(10-7-21-48-43(46)47)41(55)49-26-31-8-3-2-4-9-31)52-44(57)50-35-17-20-37-33(28-53-22-5-6-23-53)29-54(40(37)25-35)27-32-11-15-34(45)16-12-32/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103026
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccccc4C)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C48H61N9O4/c1-34-13-7-8-17-37(34)32-57-33-38(31-56-27-9-4-10-28-56)41-24-21-39(30-44(41)57)53-48(60)55-43(29-36-19-22-40(61-2)23-20-36)46(59)54-42(18-12-26-52-47(49)50)45(58)51-25-11-16-35-14-5-3-6-15-35/h3,5-8,13-15,17,19-24,30,33,42-43H,4,9-12,16,18,25-29,31-32H2,1-2H3,(H,51,58)(H,54,59)(H4,49,50,52)(H2,53,55,60)/t42-,43-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103019
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H58F3N9O5/c1-61-35-16-11-30(12-17-35)24-39(42(59)54-38(10-7-21-51-43(49)50)41(58)52-26-31-8-3-2-4-9-31)55-44(60)53-34-15-20-37-33(28-56-22-5-6-23-56)29-57(40(37)25-34)27-32-13-18-36(19-14-32)62-45(46,47)48/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103034
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2,6-dichlor...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H48Cl2N10O3/c45-36-10-6-11-37(46)35(36)28-56-27-32(26-55-20-4-5-21-55)34-18-17-33(23-40(34)56)52-44(59)54-39(22-29-13-15-30(24-47)16-14-29)42(58)53-38(12-7-19-50-43(48)49)41(57)51-25-31-8-2-1-3-9-31/h1-3,6,8-11,13-18,23,27,38-39H,4-5,7,12,19-22,25-26,28H2,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t38-,39-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103023
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H60F3N9O5/c1-62-36-17-12-31(13-18-36)25-40(43(60)55-39(11-8-22-52-44(50)51)42(59)53-27-32-9-4-2-5-10-32)56-45(61)54-35-16-21-38-34(29-57-23-6-3-7-24-57)30-58(41(38)26-35)28-33-14-19-37(20-15-33)63-46(47,48)49/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,53,59)(H,55,60)(H4,50,51,52)(H2,54,56,61)/t39-,40-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103014
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES N\C([NH-])=[NH+]/CCCC(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H49FN10O5/c44-33-14-10-31(11-15-33)26-53-28-32(27-52-21-4-5-22-52)36-19-16-34(24-39(36)53)49-43(57)51-38(23-29-12-17-35(18-13-29)54(58)59)41(56)50-37(9-6-20-47-42(45)46)40(55)48-25-30-7-2-1-3-8-30/h1-3,7-8,10-19,24,28,37-38H,4-6,9,20-23,25-27H2,(H8,45,46,47,48,49,50,51,55,56,57)
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n/an/a 6.10E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103033
PNG
((S)-2-((S)-3-(4-Cyano-phenyl)-2-{3-[1-(2-methyl-be...)
Show SMILES Cc1ccccc1Cn1cc(CN2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc(cc3)C#N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc3ccccc3)cc12
Show InChI InChI=1S/C45H52N10O3/c1-31-10-5-6-13-35(31)29-55-30-36(28-54-22-7-8-23-54)38-20-19-37(25-41(38)55)51-45(58)53-40(24-32-15-17-33(26-46)18-16-32)43(57)52-39(14-9-21-49-44(47)48)42(56)50-27-34-11-3-2-4-12-34/h2-6,10-13,15-20,25,30,39-40H,7-9,14,21-24,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103023
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H60F3N9O5/c1-62-36-17-12-31(13-18-36)25-40(43(60)55-39(11-8-22-52-44(50)51)42(59)53-27-32-9-4-2-5-10-32)56-45(61)54-35-16-21-38-34(29-57-23-6-3-7-24-57)30-58(41(38)26-35)28-33-14-19-37(20-15-33)63-46(47,48)49/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,53,59)(H,55,60)(H4,50,51,52)(H2,54,56,61)/t39-,40-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103032
PNG
(2-[(S)-2-{3-[1-(2,6-Dichloro-benzyl)-3-pyrrolidin-...)
Show SMILES NC(=O)CCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H43Cl2F2N7O4/c43-32-9-6-10-33(44)31(32)25-53-24-28(23-52-17-4-5-18-52)30-13-12-29(21-38(30)53)49-42(57)51-37(20-27-11-14-34(45)35(46)19-27)41(56)50-36(15-16-39(47)54)40(55)48-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25H2,(H2,47,54)(H,48,55)(H,50,56)(H2,49,51,57)/t36?,37-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103035
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-pyrrolidin-...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C46H56FN9O4/c1-60-38-20-15-33(16-21-38)27-41(44(58)53-40(12-8-24-51-45(48)49)43(57)50-23-7-11-32-9-3-2-4-10-32)54-46(59)52-37-19-22-39-35(30-55-25-5-6-26-55)31-56(42(39)28-37)29-34-13-17-36(47)18-14-34/h2-4,9-10,13-22,28,31,40-41H,5-8,11-12,23-27,29-30H2,1H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t40-,41-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103037
PNG
((S)-2-[(S)-2-{3-[3-Azetidin-1-ylmethyl-1-(4-fluoro...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C43H50FN9O4/c1-57-35-17-12-29(13-18-35)23-38(41(55)50-37(9-5-20-47-42(45)46)40(54)48-25-30-7-3-2-4-8-30)51-43(56)49-34-16-19-36-32(27-52-21-6-22-52)28-53(39(36)24-34)26-31-10-14-33(44)15-11-31/h2-4,7-8,10-19,24,28,37-38H,5-6,9,20-23,25-27H2,1H3,(H,48,54)(H,50,55)(H4,45,46,47)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103028
PNG
(CHEMBL305188 | N-Benzyl-2-[(S)-2-{3-[1-(2,6-dichlo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H44Cl2F2N6O3S/c1-56-19-16-37(40(53)47-23-27-8-3-2-4-9-27)49-41(54)38(21-28-12-15-35(45)36(46)20-28)50-42(55)48-30-13-14-31-29(24-51-17-5-6-18-51)25-52(39(31)22-30)26-32-33(43)10-7-11-34(32)44/h2-4,7-15,20,22,25,37-38H,5-6,16-19,21,23-24,26H2,1H3,(H,47,53)(H,49,54)(H2,48,50,55)/t37?,38-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103030
PNG
((S)-2-[(S)-2-{3-[3-Diethylaminomethyl-1-(4-fluoro-...)
Show SMILES CCN(CC)Cc1cn(Cc2ccc(F)cc2)c2cc(NC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC3CCCCC3)ccc12
Show InChI InChI=1S/C44H60FN9O4/c1-4-53(5-2)28-33-29-54(27-32-13-17-34(45)18-14-32)40-25-35(19-22-37(33)40)50-44(57)52-39(24-30-15-20-36(58-3)21-16-30)42(56)51-38(12-9-23-48-43(46)47)41(55)49-26-31-10-7-6-8-11-31/h13-22,25,29,31,38-39H,4-12,23-24,26-28H2,1-3H3,(H,49,55)(H,51,56)(H4,46,47,48)(H2,50,52,57)/t38-,39-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103028
PNG
(CHEMBL305188 | N-Benzyl-2-[(S)-2-{3-[1-(2,6-dichlo...)
Show SMILES CSCCC(NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H44Cl2F2N6O3S/c1-56-19-16-37(40(53)47-23-27-8-3-2-4-9-27)49-41(54)38(21-28-12-15-35(45)36(46)20-28)50-42(55)48-30-13-14-31-29(24-51-17-5-6-18-51)25-52(39(31)22-30)26-32-33(43)10-7-11-34(32)44/h2-4,7-15,20,22,25,37-38H,5-6,16-19,21,23-24,26H2,1H3,(H,47,53)(H,49,54)(H2,48,50,55)/t37?,38-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103022
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4cccc(C)c4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H63N9O4/c1-32-11-9-14-35(25-32)29-55-31-36(30-54-23-7-4-8-24-54)39-21-18-37(27-42(39)55)51-46(58)53-41(26-33-16-19-38(59-2)20-17-33)44(57)52-40(15-10-22-49-45(47)48)43(56)50-28-34-12-5-3-6-13-34/h9,11,14,16-21,25,27,31,34,40-41H,3-8,10,12-13,15,22-24,26,28-30H2,1-2H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t40-,41-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50103027
PNG
((S)-2-[(S)-2-{3-[1-(4-Fluoro-benzyl)-3-piperidin-1...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H60FN9O4/c1-59-37-19-14-31(15-20-37)25-40(43(57)52-39(11-8-22-49-44(47)48)42(56)50-27-32-9-4-2-5-10-32)53-45(58)51-36-18-21-38-34(29-54-23-6-3-7-24-54)30-55(41(38)26-36)28-33-12-16-35(46)17-13-33/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,58)/t39-,40-/m0/s1
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n/an/a 2.38E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103023
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C46H60F3N9O5/c1-62-36-17-12-31(13-18-36)25-40(43(60)55-39(11-8-22-52-44(50)51)42(59)53-27-32-9-4-2-5-10-32)56-45(61)54-35-16-21-38-34(29-57-23-6-3-7-24-57)30-58(41(38)26-35)28-33-14-19-37(20-15-33)63-46(47,48)49/h12-21,26,30,32,39-40H,2-11,22-25,27-29H2,1H3,(H,53,59)(H,55,60)(H4,50,51,52)(H2,54,56,61)/t39-,40-/m0/s1
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n/an/a 3.65E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of C...


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103039
PNG
(4-(6-{3-[(S)-1-[(S)-1-(Cyclohexylmethyl-carbamoyl)...)
Show SMILES COC(=O)c1ccc(Cn2cc(CN3CCCC3)c3ccc(NC(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC4CCCCC4)cc23)cc1
Show InChI InChI=1S/C46H61N9O6/c1-60-37-19-14-31(15-20-37)25-40(43(57)52-39(11-8-22-49-45(47)48)42(56)50-27-32-9-4-3-5-10-32)53-46(59)51-36-18-21-38-35(29-54-23-6-7-24-54)30-55(41(38)26-36)28-33-12-16-34(17-13-33)44(58)61-2/h12-21,26,30,32,39-40H,3-11,22-25,27-29H2,1-2H3,(H,50,56)(H,52,57)(H4,47,48,49)(H2,51,53,59)/t39-,40-/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50103019
PNG
((S)-5-Guanidino-2-((S)-3-(4-methoxy-phenyl)-2-{3-[...)
Show SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C45H58F3N9O5/c1-61-35-16-11-30(12-17-35)24-39(42(59)54-38(10-7-21-51-43(49)50)41(58)52-26-31-8-3-2-4-9-31)55-44(60)53-34-15-20-37-33(28-56-22-5-6-23-56)29-57(40(37)25-34)27-32-13-18-36(19-14-32)62-45(46,47)48/h11-20,25,29,31,38-39H,2-10,21-24,26-28H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
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n/an/a 4.03E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


Bioorg Med Chem Lett 11: 2105-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00378-x
BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%