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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'hawkins' and Initial = 'mj'   
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
Chymase


(Homo sapiens (Human))
BDBM50208224
PNG
(2-(3-((1-(2-naphthoyl)piperidin-4-yl)(methyl)carba...)
Show SMILES CN(C1CCN(CC1)C(=O)c1ccc2ccccc2c1)C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50208222
PNG
((E)-2-(3-chloro-5-fluorostyrylamino)-1-(5-chlorobe...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H15Cl2FNO3PS/c1-27(25,26)18(16-10-28-17-3-2-12(20)9-15(16)17)19(24)23-5-4-11-6-13(21)8-14(22)7-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208228
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)
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36n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin G


(Homo sapiens (Human))
BDBM50208224
PNG
(2-(3-((1-(2-naphthoyl)piperidin-4-yl)(methyl)carba...)
Show SMILES CN(C1CCN(CC1)C(=O)c1ccc2ccccc2c1)C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)
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38n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil Cat G


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin G


(Homo sapiens (Human))
BDBM50208228
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)
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9.50E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil Cat G


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208225
PNG
((E)-2-(3-chlorostyrylamino)-1-(5-chlorobenzo[b]thi...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cccc(Cl)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H16Cl2NO3PS/c1-26(24,25)18(16-11-27-17-6-5-14(21)10-15(16)17)19(23)22-8-7-12-3-2-4-13(20)9-12/h2-11,18H,1H3,(H,22,23)(H,24,25)
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n/an/a 3.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208224
PNG
(2-(3-((1-(2-naphthoyl)piperidin-4-yl)(methyl)carba...)
Show SMILES CN(C1CCN(CC1)C(=O)c1ccc2ccccc2c1)C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)
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n/an/a 4.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50208236
PNG
(1-(5-chloro-1-methyl-1H-indol-3-yl)-2-(naphthalen-...)
Show SMILES Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(C)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN2O3P/c1-25-13-19(18-12-16(23)8-10-20(18)25)21(29(2,27)28)22(26)24-17-9-7-14-5-3-4-6-15(14)11-17/h3-13,21H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208243
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C18H13ClF2NO4PS/c19-11-2-4-16-12(8-11)13(9-28-16)17(27(24,25)26)18(23)22-6-5-10-1-3-14(20)15(21)7-10/h1-9,17H,(H,22,23)(H2,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208232
PNG
(1-(5-chloro-1-methyl-1H-indol-3-yl)-2-(naphthalen-...)
Show SMILES Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(O)(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H18ClN2O4P/c1-24-12-18(17-11-15(22)7-9-19(17)24)20(29(26,27)28)21(25)23-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,20H,1H3,(H,23,25)(H2,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208244
PNG
((E)-2-(4-fluorostyrylamino)-1-(5-chloro-1-methyl-1...)
Show SMILES Cn1cc(C(C(=O)NC=Cc2ccc(F)cc2)P(O)(O)=O)c2cc(Cl)ccc12 |w:9.9|
Show InChI InChI=1S/C19H17ClFN2O4P/c1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12/h2-11,18H,1H3,(H,22,24)(H2,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208222
PNG
((E)-2-(3-chloro-5-fluorostyrylamino)-1-(5-chlorobe...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H15Cl2FNO3PS/c1-27(25,26)18(16-10-28-17-3-2-12(20)9-15(16)17)19(24)23-5-4-11-6-13(21)8-14(22)7-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208229
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chloro-1-meth...)
Show SMILES Cn1cc(C(C(=O)NC=Cc2ccc(F)c(F)c2)P(C)(O)=O)c2cc(Cl)ccc12 |w:9.9|
Show InChI InChI=1S/C20H18ClF2N2O3P/c1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12/h3-11,19H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208228
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)
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n/an/a 29n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50208241
PNG
((E)-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxo-2-(sty...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1ccccc1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H17ClNO3PS/c1-25(23,24)18(16-12-26-17-8-7-14(20)11-15(16)17)19(22)21-10-9-13-5-3-2-4-6-13/h2-12,18H,1H3,(H,21,22)(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208242
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES CP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C19H15ClF2NO3PS/c1-27(25,26)18(14-10-28-17-5-3-12(20)9-13(14)17)19(24)23-7-6-11-2-4-15(21)16(22)8-11/h2-10,18H,1H3,(H,23,24)(H,25,26)
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n/an/a 58n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50208226
PNG
((E)-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxo-2-(sty...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccccc1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C18H15ClNO4PS/c19-13-6-7-16-14(10-13)15(11-26-16)17(25(22,23)24)18(21)20-9-8-12-4-2-1-3-5-12/h1-11,17H,(H,20,21)(H2,22,23,24)
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n/an/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208239
PNG
((E)-2-(4-fluorostyrylamino)-1-(5-chlorobenzo[b]thi...)
Show SMILES OP(O)(=O)C(C(=O)NC=Cc1ccc(F)cc1)c1csc2ccc(Cl)cc12 |w:9.9|
Show InChI InChI=1S/C18H14ClFNO4PS/c19-12-3-6-16-14(9-12)15(10-27-16)17(26(23,24)25)18(22)21-8-7-11-1-4-13(20)5-2-11/h1-10,17H,(H,21,22)(H2,23,24,25)
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n/an/a 66n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208221
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES CP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C21H17ClNO3PS/c1-27(25,26)20(18-12-28-19-9-7-15(22)11-17(18)19)21(24)23-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,20H,1H3,(H,23,24)(H,25,26)
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n/an/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208227
PNG
(1-(1-methyl-1H-indol-3-yl)-2-(naphthalen-2-ylamino...)
Show SMILES Cn1cc(C(C(=O)Nc2ccc3ccccc3c2)P(O)(O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N2O4P/c1-23-13-18(17-8-4-5-9-19(17)23)20(28(25,26)27)21(24)22-16-11-10-14-6-2-3-7-15(14)12-16/h2-13,20H,1H3,(H,22,24)(H2,25,26,27)
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n/an/a 90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208234
PNG
(1-(benzo[b]thiophen-3-yl)-2-(naphthalen-2-ylamino)...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C20H16NO4PS/c22-20(21-15-10-9-13-5-1-2-6-14(13)11-15)19(26(23,24)25)17-12-27-18-8-4-3-7-16(17)18/h1-12,19H,(H,21,22)(H2,23,24,25)
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208223
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES CCP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C22H19ClNO3PS/c1-2-28(26,27)21(19-13-29-20-10-8-16(23)12-18(19)20)22(25)24-17-9-7-14-5-3-4-6-15(14)11-17/h3-13,21H,2H2,1H3,(H,24,25)(H,26,27)
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n/an/a 160n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208235
PNG
((E)-2-(3,4-difluorostyrylamino)-1-(5-chlorobenzo[b...)
Show SMILES CCP(O)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 |w:10.10|
Show InChI InChI=1S/C20H17ClF2NO3PS/c1-2-28(26,27)19(15-11-29-18-6-4-13(21)10-14(15)18)20(25)24-8-7-12-3-5-16(22)17(23)9-12/h3-11,19H,2H2,1H3,(H,24,25)(H,26,27)
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n/an/a 165n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208237
PNG
(1-(naphthalen-1-yl)-2-(naphthalen-2-ylamino)-2-oxo...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C22H18NO4P/c24-22(23-18-13-12-15-6-1-2-8-17(15)14-18)21(28(25,26)27)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,21H,(H,23,24)(H2,25,26,27)
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n/an/a 190n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208238
PNG
(CHEMBL223624 | methyl(1-(naphthalen-1-yl)-2-(napht...)
Show SMILES CP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C23H20NO3P/c1-28(26,27)22(21-12-6-10-17-8-4-5-11-20(17)21)23(25)24-19-14-13-16-7-2-3-9-18(16)15-19/h2-15,22H,1H3,(H,24,25)(H,26,27)
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n/an/a 210n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208220
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES OP(=O)(CCc1ccccc1)C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12
Show InChI InChI=1S/C28H23ClNO3PS/c29-22-11-13-26-24(17-22)25(18-35-26)27(34(32,33)15-14-19-6-2-1-3-7-19)28(31)30-23-12-10-20-8-4-5-9-21(20)16-23/h1-13,16-18,27H,14-15H2,(H,30,31)(H,32,33)
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n/an/a 240n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208219
PNG
((E)-2-(4-methoxystyrylamino)-1-(5-chlorobenzo[b]th...)
Show SMILES COc1ccc(C=CNC(=O)C(c2csc3ccc(Cl)cc23)P(O)(O)=O)cc1 |w:6.5|
Show InChI InChI=1S/C19H17ClNO5PS/c1-26-14-5-2-12(3-6-14)8-9-21-19(22)18(27(23,24)25)16-11-28-17-7-4-13(20)10-15(16)17/h2-11,18H,1H3,(H,21,22)(H2,23,24,25)
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n/an/a 280n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031392
PNG
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-3-h...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C34H57N11O8/c1-18(2)13-24(31(51)41-22(11-8-12-40-34(38)39)30(50)42-23(28(37)48)16-27(36)47)44-32(52)25(14-19(3)4)45-33(53)26(43-29(49)21(35)17-46)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,46H,8,11-17,35H2,1-4H3,(H2,36,47)(H2,37,48)(H,41,51)(H,42,50)(H,43,49)(H,44,52)(H,45,53)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208231
PNG
(1-(1H-indol-3-yl)-2-(naphthalen-2-ylamino)-2-oxoet...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H17N2O4P/c23-20(22-15-10-9-13-5-1-2-6-14(13)11-15)19(27(24,25)26)17-12-21-18-8-4-3-7-16(17)18/h1-12,19,21H,(H,22,23)(H2,24,25,26)
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n/an/a 920n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077725
PNG
(5-[(E)-3-(4-Fluoro-phenyl)-acryloylamino]-1H-[1,2,...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(NC(=O)C=Cc2ccc(F)cc2)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:30.31|
Show InChI InChI=1S/C36H46FN11O5/c37-25-16-13-22(14-17-25)15-18-29(49)45-36-46-31(47-48-36)34(53)44-28(21-24-10-5-2-6-11-24)33(52)42-26(12-7-19-41-35(39)40)32(51)43-27(30(38)50)20-23-8-3-1-4-9-23/h1,3-4,8-9,13-18,24,26-28H,2,5-7,10-12,19-21H2,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H4,39,40,41)(H2,45,46,47,48,49)/t26-,27-,28-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The 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 Thrombin receptor 1 (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077730
PNG
(CHEMBL284498 | N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H42N8O4/c31-26(39)24(17-20-9-3-1-4-10-20)37-28(41)23(14-8-16-35-30(32)33)36-29(42)25(18-21-11-5-2-6-12-21)38-27(40)22-13-7-15-34-19-22/h1,3-4,7,9-10,13,15,19,21,23-25H,2,5-6,8,11-12,14,16-18H2,(H2,31,39)(H,36,42)(H,37,41)(H,38,40)(H4,32,33,35)/t23-,24-,25-/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
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077723
PNG
(5-[(E)-3-(4-Chloro-phenyl)-acryloylamino]-1H-[1,2,...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(NC(=O)C=Cc2ccc(Cl)cc2)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:30.31|
Show InChI InChI=1S/C36H46ClN11O5/c37-25-16-13-22(14-17-25)15-18-29(49)45-36-46-31(47-48-36)34(53)44-28(21-24-10-5-2-6-11-24)33(52)42-26(12-7-19-41-35(39)40)32(51)43-27(30(38)50)20-23-8-3-1-4-9-23/h1,3-4,8-9,13-18,24,26-28H,2,5-7,10-12,19-21H2,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H4,39,40,41)(H2,45,46,47,48,49)/t26-,27-,28-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



The 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 Thrombin receptor 1 (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077741
PNG
(5-[(E)-3-(2-Chloro-phenyl)-acryloylamino]-1H-[1,2,...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(NC(=O)C=Cc2ccccc2Cl)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:30.31|
Show InChI InChI=1S/C36H46ClN11O5/c37-25-15-8-7-14-24(25)17-18-29(49)45-36-46-31(47-48-36)34(53)44-28(21-23-12-5-2-6-13-23)33(52)42-26(16-9-19-41-35(39)40)32(51)43-27(30(38)50)20-22-10-3-1-4-11-22/h1,3-4,7-8,10-11,14-15,17-18,23,26-28H,2,5-6,9,12-13,16,19-21H2,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H4,39,40,41)(H2,45,46,47,48,49)/t26-,27-,28-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



The 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 thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077751
PNG
(5-[(E)-3-(2-Nitro-phenyl)-acryloylamino]-1H-[1,2,4...)
Show SMILES NC([NH-])=[NH+]CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(NC(=O)C=Cc2ccccc2[N+]([O-])=O)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:30.31,3.3|
Show InChI InChI=1S/C36H46N12O7/c37-30(50)26(20-22-10-3-1-4-11-22)42-32(51)25(15-9-19-40-35(38)39)41-33(52)27(21-23-12-5-2-6-13-23)43-34(53)31-45-36(47-46-31)44-29(49)18-17-24-14-7-8-16-28(24)48(54)55/h1,3-4,7-8,10-11,14,16-18,23,25-27H,2,5-6,9,12-13,15,19-21H2,(H11,37,38,39,40,41,42,43,44,45,46,47,49,50,51,52,53)/t25-,26-,27-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



The 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 thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077747
PNG
(4-Oxo-4H-chromene-2-carboxylic acid {(S)-1-[(S)-1-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H43N7O6/c35-30(43)25(18-21-10-3-1-4-11-21)40-31(44)24(15-9-17-38-34(36)37)39-32(45)26(19-22-12-5-2-6-13-22)41-33(46)29-20-27(42)23-14-7-8-16-28(23)47-29/h1,3-4,7-8,10-11,14,16,20,22,24-26H,2,5-6,9,12-13,15,17-19H2,(H2,35,43)(H,39,45)(H,40,44)(H,41,46)(H4,36,37,38)/t24-,25-,26-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



The 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 thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077726
PNG
(5-Bromo-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cncc(Br)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H41BrN8O4/c31-22-16-21(17-35-18-22)27(41)39-25(15-20-10-5-2-6-11-20)29(43)37-23(12-7-13-36-30(33)34)28(42)38-24(26(32)40)14-19-8-3-1-4-9-19/h1,3-4,8-9,16-18,20,23-25H,2,5-7,10-15H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t23-,24-,25-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077748
PNG
(5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H41N11O4/c28-21(39)19(14-16-8-3-1-4-9-16)34-23(40)18(12-7-13-32-26(29)30)33-24(41)20(15-17-10-5-2-6-11-17)35-25(42)22-36-27(31)38-37-22/h1,3-4,8-9,17-20H,2,5-7,10-15H2,(H2,28,39)(H,33,41)(H,34,40)(H,35,42)(H4,29,30,32)(H3,31,36,37,38)/t18-,19-,20-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077744
PNG
(5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C27H35N11O4/c28-21(39)19(14-16-8-3-1-4-9-16)34-23(40)18(12-7-13-32-26(29)30)33-24(41)20(15-17-10-5-2-6-11-17)35-25(42)22-36-27(31)38-37-22/h1-6,8-11,18-20H,7,12-15H2,(H2,28,39)(H,33,41)(H,34,40)(H,35,42)(H4,29,30,32)(H3,31,36,37,38)/t18-,19-,20-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077764
PNG
(3-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H44N8O4/c32-23-14-7-13-22(19-23)28(41)39-26(18-21-11-5-2-6-12-21)30(43)37-24(15-8-16-36-31(34)35)29(42)38-25(27(33)40)17-20-9-3-1-4-10-20/h1,3-4,7,9-10,13-14,19,21,24-26H,2,5-6,8,11-12,15-18,32H2,(H2,33,40)(H,37,43)(H,38,42)(H,39,41)(H4,34,35,36)/t24-,25-,26-/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
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077746
PNG
(5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H47N11O4/c28-21(39)19(14-16-8-3-1-4-9-16)34-23(40)18(12-7-13-32-26(29)30)33-24(41)20(15-17-10-5-2-6-11-17)35-25(42)22-36-27(31)38-37-22/h16-20H,1-15H2,(H2,28,39)(H,33,41)(H,34,40)(H,35,42)(H4,29,30,32)(H3,31,36,37,38)/t18-,19-,20-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077750
PNG
(6-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(N)nc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N9O4/c31-25-14-13-21(18-36-25)27(41)39-24(17-20-10-5-2-6-11-20)29(43)37-22(12-7-15-35-30(33)34)28(42)38-23(26(32)40)16-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,18,20,22-24H,2,5-7,10-12,15-17H2,(H2,31,36)(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,35)/t22-,23-,24-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208240
PNG
(1-(5-chlorobenzo[b]thiophen-3-yl)-2-(naphthalen-2-...)
Show SMILES OP(=O)(C(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12)c1ccccc1
Show InChI InChI=1S/C26H19ClNO3PS/c27-19-11-13-24-22(15-19)23(16-33-24)25(32(30,31)21-8-2-1-3-9-21)26(29)28-20-12-10-17-6-4-5-7-18(17)14-20/h1-16,25H,(H,28,29)(H,30,31)
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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077749
PNG
(5-((Z)-2-Fluoro-3-phenyl-acryloylamino)-1H-[1,2,4]...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(NC(=O)C(F)=Cc2ccccc2)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |w:31.32|
Show InChI InChI=1S/C36H46FN11O5/c37-25(19-22-11-4-1-5-12-22)31(50)46-36-45-30(47-48-36)34(53)44-28(21-24-15-8-3-9-16-24)33(52)42-26(17-10-18-41-35(39)40)32(51)43-27(29(38)49)20-23-13-6-2-7-14-23/h1-2,4-7,11-14,19,24,26-28H,3,8-10,15-18,20-21H2,(H2,38,49)(H,42,52)(H,43,51)(H,44,53)(H4,39,40,41)(H2,45,46,47,48,50)/t26-,27-,28-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077742
PNG
(2-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H43N9O4/c31-25-21(13-7-15-35-25)27(41)39-24(18-20-11-5-2-6-12-20)29(43)37-22(14-8-16-36-30(33)34)28(42)38-23(26(32)40)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13,15,20,22-24H,2,5-6,8,11-12,14,16-18H2,(H2,31,35)(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t22-,23-,24-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077733
PNG
(Benzo[b]thiophene-2-carboxylic acid {(S)-1-[(S)-1-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H43N7O4S/c34-29(41)25(18-21-10-3-1-4-11-21)39-30(42)24(15-9-17-37-33(35)36)38-31(43)26(19-22-12-5-2-6-13-22)40-32(44)28-20-23-14-7-8-16-27(23)45-28/h1,3-4,7-8,10-11,14,16,20,22,24-26H,2,5-6,9,12-13,15,17-19H2,(H2,34,41)(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t24-,25-,26-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077736
PNG
(CHEMBL33945 | N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-p...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H41ClN8O4/c31-25-14-13-21(18-36-25)27(41)39-24(17-20-10-5-2-6-11-20)29(43)37-22(12-7-15-35-30(33)34)28(42)38-23(26(32)40)16-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,18,20,22-24H,2,5-7,10-12,15-17H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,35)/t22-,23-,24-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



The 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 Thrombin receptor 1 (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077728
PNG
(Biphenylene-2-carboxylic acid {(S)-1-[(S)-1-((S)-1...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2-c3ccccc3-c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H45N7O4/c38-33(45)31(20-23-10-3-1-4-11-23)43-35(47)30(16-9-19-41-37(39)40)42-36(48)32(21-24-12-5-2-6-13-24)44-34(46)25-17-18-28-26-14-7-8-15-27(26)29(28)22-25/h1,3-4,7-8,10-11,14-15,17-18,22,24,30-32H,2,5-6,9,12-13,16,19-21H2,(H2,38,45)(H,42,48)(H,43,47)(H,44,46)(H4,39,40,41)/t30-,31-,32-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50208233
PNG
(1-(benzofuran-3-yl)-2-(naphthalen-2-ylamino)-2-oxo...)
Show SMILES OP(O)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1coc2ccccc12
Show InChI InChI=1S/C20H16NO5P/c22-20(21-15-10-9-13-5-1-2-6-14(13)11-15)19(27(23,24)25)17-12-26-18-8-4-3-7-16(17)18/h1-12,19H,(H,21,22)(H2,23,24,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human skin chymase


J Med Chem 50: 1727-30 (2007)


Article DOI: 10.1021/jm0700619
BindingDB Entry DOI: 10.7270/Q26W99RF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077753
PNG
(CHEMBL287270 | N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C30H40Cl2N8O4/c31-21-16-20(17-37-25(21)32)27(42)40-24(15-19-10-5-2-6-11-19)29(44)38-22(12-7-13-36-30(34)35)28(43)39-23(26(33)41)14-18-8-3-1-4-9-18/h1,3-4,8-9,16-17,19,22-24H,2,5-7,10-15H2,(H2,33,41)(H,38,44)(H,39,43)(H,40,42)(H4,34,35,36)/t22-,23-,24-/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
Inhibition of [3H]-S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50077737
PNG
(4-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H44N8O4/c32-23-15-13-22(14-16-23)28(41)39-26(19-21-10-5-2-6-11-21)30(43)37-24(12-7-17-36-31(34)35)29(42)38-25(27(33)40)18-20-8-3-1-4-9-20/h1,3-4,8-9,13-16,21,24-26H,2,5-7,10-12,17-19,32H2,(H2,33,40)(H,37,43)(H,38,42)(H,39,41)(H4,34,35,36)/t24-,25-,26-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



The 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 thrombin receptor (PAR-1) on membranes from CHRF cells


Bioorg Med Chem Lett 9: 1423-8 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DFP
More data for this
Ligand-Target Pair
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