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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Tryptase gamma'   
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
Tryptase gamma


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tryptase


Bioorg Med Chem Lett 9: 3147-52 (1999)


BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human lung tryptase gamma1 after 10 to 15 mins by fluorescence assay


J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50093153
PNG
(CHEMBL306620 | Derivative of APC-2059)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#8]-[#6@@H]-3-[#6@@H](-[#6]-[#8]-[#6@H]-2-3)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C34H46N12O8/c35-29(36)41-23-5-1-21(2-6-23)17-39-31(47)43-9-13-45(14-10-43)33(49)53-25-19-51-28-26(20-52-27(25)28)54-34(50)46-15-11-44(12-16-46)32(48)40-18-22-3-7-24(8-4-22)42-30(37)38/h1-8,25-28H,9-20H2,(H,39,47)(H,40,48)(H4,35,36,41)(H4,37,38,42)/t25-,26-,27-,28-/m1/s1
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n/an/an/a 0.100n/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Dissociation cosntant of compound was evaluated from its IC50 against tryptase at different concentrations


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50093142
PNG
(1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C36H52N12O6/c37-31(38)43-27-11-7-25(8-12-27)23-41-33(49)45-15-19-47(20-16-45)35(51)53-29-3-1-4-30(6-2-5-29)54-36(52)48-21-17-46(18-22-48)34(50)42-24-26-9-13-28(14-10-26)44-32(39)40/h7-14,29-30H,1-6,15-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)/t29-,30+
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n/an/an/a 0.0700n/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Dissociation cosntant of compound was evaluated from its IC50 against tryptase at different concentrations


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase gamma


(Homo sapiens (Human))
BDBM50093142
PNG
(1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C36H52N12O6/c37-31(38)43-27-11-7-25(8-12-27)23-41-33(49)45-15-19-47(20-16-45)35(51)53-29-3-1-4-30(6-2-5-29)54-36(52)48-21-17-46(18-22-48)34(50)42-24-26-9-13-28(14-10-26)44-32(39)40/h7-14,29-30H,1-6,15-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)/t29-,30+
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Dissociation cosntant of compound was evaluated from its IC50 against tryptase at different concentrations


Bioorg Med Chem Lett 10: 2357-60 (2001)


BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair