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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'oksenberg' and Initial = 'd'   
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))
BDBM50070679
PNG
((S)-2-[(S)-2-{(S)-3-(4-Fluoro-phenyl)-2-[(E)-(3-ph...)
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](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O |w:36.38|
Show InChI InChI=1S/C46H64FN15O6/c1-27(2)24-35(41(66)60-34(11-7-23-56-45(51)52)40(65)59-33(39(48)64)10-6-22-55-44(49)50)61-43(68)37(26-30-14-19-32(20-15-30)57-46(53)54)62-42(67)36(25-29-12-17-31(47)18-13-29)58-38(63)21-16-28-8-4-3-5-9-28/h3-5,8-9,12-21,27,33-37H,6-7,10-11,22-26H2,1-2H3,(H2,48,64)(H,58,63)(H,59,65)(H,60,66)(H,61,68)(H,62,67)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to a thrombin receptor (PAR-1) membrane preparation.


Bioorg Med Chem Lett 8: 1649-54 (1999)


BindingDB Entry DOI: 10.7270/Q26T0N4D
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM151585
PNG
(US11739089, Compound Ketoconazole | US8987315, Ket...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins


ACS Med Chem Lett 8: 321-326 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM151585
PNG
(US11739089, Compound Ketoconazole | US8987315, Ket...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins


ACS Med Chem Lett 8: 321-326 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129484
PNG
(CHEMBL308050 | N-(2-Amino-ethyl)-2-[(S)-2-{3-[1-(2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCN
Show InChI InChI=1S/C37H43Cl2F2N7O3S/c1-52-16-11-32(35(49)43-13-12-42)45-36(50)33(18-23-7-10-30(40)31(41)17-23)46-37(51)44-25-8-9-26-24(20-47-14-2-3-15-47)21-48(34(26)19-25)22-27-28(38)5-4-6-29(27)39/h4-10,17,19,21,32-33H,2-3,11-16,18,20,22,42H2,1H3,(H,43,49)(H,45,50)(H2,44,46,51)/t32-,33-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129486
PNG
((S)-N-[1-((S)-2-Amino-ethylcarbamoyl)-2-thiophen-2...)
Show SMILES NCCNC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C39H41Cl2F2N7O3S/c40-30-6-3-7-31(41)29(30)23-50-22-25(21-49-14-1-2-15-49)28-10-9-26(19-36(28)50)46-39(53)48-34(18-24-8-11-32(42)33(43)17-24)38(52)47-35(37(51)45-13-12-44)20-27-5-4-16-54-27/h3-11,16-17,19,22,34-35H,1-2,12-15,18,20-21,23,44H2,(H,45,51)(H,47,52)(H2,46,48,53)/t34-,35-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins


ACS Med Chem Lett 8: 321-326 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129487
PNG
((S)-N-[1-((R)-2-Amino-ethylcarbamoyl)-2-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCN
Show InChI InChI=1S/C36H41Cl2F2N7O3S/c1-51-21-32(34(48)42-12-11-41)44-35(49)31(16-22-7-10-29(39)30(40)15-22)45-36(50)43-24-8-9-25-23(18-46-13-2-3-14-46)19-47(33(25)17-24)20-26-27(37)5-4-6-28(26)38/h4-10,15,17,19,31-32H,2-3,11-14,16,18,20-21,41H2,1H3,(H,42,48)(H,44,49)(H2,43,45,50)/t31-,32-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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 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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129488
PNG
((S)-N-[1-((S)-2-Amino-ethylcarbamoyl)-2-pyridin-4-...)
Show SMILES NCCNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1F)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C40H43Cl2FN8O3/c41-32-7-5-8-33(42)31(32)25-51-24-28(23-50-18-3-4-19-50)30-11-10-29(22-37(30)51)47-40(54)49-36(21-27-6-1-2-9-34(27)43)39(53)48-35(38(52)46-17-14-44)20-26-12-15-45-16-13-26/h1-2,5-13,15-16,22,24,35-36H,3-4,14,17-21,23,25,44H2,(H,46,52)(H,48,53)(H2,47,49,54)/t35-,36-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129478
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C40H48Cl2F2N8O3/c41-31-6-5-7-32(42)30(31)25-52-24-27(23-51-17-3-4-18-51)29-10-9-28(22-37(29)52)47-40(55)49-36(21-26-8-11-33(43)34(44)20-26)39(54)48-35(12-13-45)38(53)46-14-19-50-15-1-2-16-50/h5-11,20,22,24,35-36H,1-4,12-19,21,23,25,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t35-,36-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129495
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES CCNCCNC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C38H46Cl2F2N8O3/c1-2-44-14-15-45-36(51)33(12-13-43)47-37(52)34(19-24-8-11-31(41)32(42)18-24)48-38(53)46-26-9-10-27-25(21-49-16-3-4-17-49)22-50(35(27)20-26)23-28-29(39)6-5-7-30(28)40/h5-11,18,20,22,33-34,44H,2-4,12-17,19,21,23,43H2,1H3,(H,45,51)(H,47,52)(H2,46,48,53)/t33-,34-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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)


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 100n/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)


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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129493
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C42H45Cl2F2N7O3/c43-33-9-6-10-34(44)32(33)26-53-25-29(24-52-19-4-5-20-52)31-13-12-30(23-39(31)53)49-42(56)51-38(22-28-11-14-35(45)36(46)21-28)41(55)50-37(15-17-47)40(54)48-18-16-27-7-2-1-3-8-27/h1-3,6-14,21,23,25,37-38H,4-5,15-20,22,24,26,47H2,(H,48,54)(H,50,55)(H2,49,51,56)/t37-,38-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129491
PNG
((S)-N-[1-((S)-3-Amino-propylcarbamoyl)-2-(1H-imida...)
Show SMILES NCCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C39H44Cl3N9O3/c40-27-9-7-25(8-10-27)17-34(38(53)48-35(18-29-20-44-24-46-29)37(52)45-14-4-13-43)49-39(54)47-28-11-12-30-26(21-50-15-1-2-16-50)22-51(36(30)19-28)23-31-32(41)5-3-6-33(31)42/h3,5-12,19-20,22,24,34-35H,1-2,4,13-18,21,23,43H2,(H,44,46)(H,45,52)(H,48,53)(H2,47,49,54)/t34-,35-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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)


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)


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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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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129489
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccco1
Show InChI InChI=1S/C39H41Cl2F2N7O4/c40-30-6-3-7-31(41)29(30)23-50-22-25(21-49-14-1-2-15-49)28-10-9-26(19-36(28)50)46-39(53)48-35(18-24-8-11-32(42)33(43)17-24)38(52)47-34(12-13-44)37(51)45-20-27-5-4-16-54-27/h3-11,16-17,19,22,34-35H,1-2,12-15,18,20-21,23,44H2,(H,45,51)(H,47,52)(H2,46,48,53)/t34-,35-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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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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)


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)


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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
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n/an/a 205n/an/an/an/an/an/a



Global Blood Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 5 to 15 mins


ACS Med Chem Lett 8: 321-326 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00491
BindingDB Entry DOI: 10.7270/Q21J9D2Q
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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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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129490
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1cccs1
Show InChI InChI=1S/C39H41Cl2F2N7O3S/c40-30-6-3-7-31(41)29(30)23-50-22-25(21-49-14-1-2-15-49)28-10-9-26(19-36(28)50)46-39(53)48-35(18-24-8-11-32(42)33(43)17-24)38(52)47-34(12-13-44)37(51)45-20-27-5-4-16-54-27/h3-11,16-17,19,22,34-35H,1-2,12-15,18,20-21,23,44H2,(H,45,51)(H,47,52)(H2,46,48,53)/t34-,35-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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)


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)


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)


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 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)


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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129480
PNG
(5-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
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)NCCN1CCCC1
Show InChI InChI=1S/C41H50Cl2F2N8O3/c42-32-7-5-8-33(43)31(32)26-53-25-28(24-52-18-3-4-19-52)30-12-11-29(23-38(30)53)48-41(56)50-37(22-27-10-13-34(44)35(45)21-27)40(55)49-36(9-6-14-46)39(54)47-15-20-51-16-1-2-17-51/h5,7-8,10-13,21,23,25,36-37H,1-4,6,9,14-20,22,24,26,46H2,(H,47,54)(H,49,55)(H2,48,50,56)/t36-,37-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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 310n/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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129485
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-31-7-5-8-32(42)30(31)24-52-23-26(22-51-16-3-4-17-51)29-11-10-27(20-37(29)52)48-40(55)50-36(19-25-9-12-33(43)34(44)18-25)39(54)49-35(13-14-45)38(53)47-21-28-6-1-2-15-46-28/h1-2,5-12,15,18,20,23,35-36H,3-4,13-14,16-17,19,21-22,24,45H2,(H,47,53)(H,49,54)(H2,48,50,55)/t35-,36-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098216
PNG
(2-Amino-4-({benzylcarbamoyl-[2-{3-[1-(2,6-dichloro...)
Show SMILES NC(CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H46Cl2F2N8O5/c44-32-9-6-10-33(45)31(32)25-55-24-28(23-54-17-4-5-18-54)30-13-12-29(21-38(30)55)51-43(60)52-37(20-27-11-14-34(46)35(47)19-27)40(56)53-39(49-16-15-36(48)42(58)59)41(57)50-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37,39,49H,4-5,15-18,20,22-23,25,48H2,(H,50,57)(H,53,56)(H,58,59)(H2,51,52,60)/t36?,37-,39+/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 antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


BindingDB Entry DOI: 10.7270/Q24X571D
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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50098215
PNG
(4-Amino-N-benzyl-2-[2-{3-[1-(2,6-dichloro-benzyl)-...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H42Cl2F2N8O3/c41-30-9-6-10-31(42)29(30)23-52-37-21-27(12-13-28(37)36(50-52)24-51-17-4-5-18-51)47-40(55)49-35(20-26-11-14-32(43)33(44)19-26)39(54)48-34(15-16-45)38(53)46-22-25-7-2-1-3-8-25/h1-3,6-14,19,21,34-35H,4-5,15-18,20,22-24,45H2,(H,46,53)(H,48,54)(H2,47,49,55)/t34-,35-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.


J Med Chem 44: 1021-4 (2001)


BindingDB Entry DOI: 10.7270/Q24X571D
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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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)


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 400n/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)


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 400n/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)


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 400n/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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129492
PNG
(4-Amino-N-(3-amino-propyl)-2-((S)-3-(4-chloro-phen...)
Show SMILES NCCCNC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C37H45Cl3N8O3/c38-26-9-7-24(8-10-26)19-33(36(50)45-32(13-15-42)35(49)43-16-4-14-41)46-37(51)44-27-11-12-28-25(21-47-17-1-2-18-47)22-48(34(28)20-27)23-29-30(39)5-3-6-31(29)40/h3,5-12,20,22,32-33H,1-2,4,13-19,21,23,41-42H2,(H,43,49)(H,45,50)(H2,44,46,51)/t32-,33-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129481
PNG
(4-Amino-N-benzyl-2-[(S)-2-{3-[1-(2,6-dichloro-benz...)
Show SMILES NCC[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/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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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)


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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n/an/a 460n/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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129482
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES COc1ccc(CNC(=O)[C@H](CCN)NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)cc1
Show InChI InChI=1S/C42H45Cl2F2N7O4/c1-57-30-11-7-26(8-12-30)22-48-40(54)37(15-16-47)50-41(55)38(20-27-9-14-35(45)36(46)19-27)51-42(56)49-29-10-13-31-28(23-52-17-2-3-18-52)24-53(39(31)21-29)25-32-33(43)5-4-6-34(32)44/h4-14,19,21,24,37-38H,2-3,15-18,20,22-23,25,47H2,1H3,(H,48,54)(H,50,55)(H2,49,51,56)/t37-,38-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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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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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50129479
PNG
(4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyr...)
Show SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C41H44Cl2F2N8O3/c42-32-7-5-8-33(43)31(32)25-53-24-27(23-52-18-3-4-19-52)30-11-10-29(22-38(30)53)49-41(56)51-37(21-26-9-12-34(44)35(45)20-26)40(55)50-36(13-15-46)39(54)48-17-14-28-6-1-2-16-47-28/h1-2,5-12,16,20,22,24,36-37H,3-4,13-15,17-19,21,23,25,46H2,(H,48,54)(H,50,55)(H2,49,51,56)/t36-,37-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells


Bioorg Med Chem Lett 13: 2199-203 (2003)


BindingDB Entry DOI: 10.7270/Q2NS0T8Z
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 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)


BindingDB Entry DOI: 10.7270/Q27W6BGF
More data for this
Ligand-Target Pair
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