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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Dimer of Tryptase beta-2'   
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
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187167
PNG
(CHEMBL211357 | N-[(S)-5-amino-1-(5-{4-[2-(3-chloro...)
Show SMILES NCCCC[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H30ClF2N5O4/c32-23-5-3-4-19(14-23)11-13-36-30(41)21-9-7-20(8-10-21)15-27-38-29(39-43-27)28(40)26(6-1-2-12-35)37-31(42)22-16-24(33)18-25(34)17-22/h3-5,7-10,14,16-18,26H,1-2,6,11-13,15,35H2,(H,36,41)(H,37,42)/t26-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187177
PNG
(CHEMBL212774 | N-[(2S)-6-amino-1-{5-[(4-{[2-(3-chl...)
Show SMILES NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H31ClFN5O4/c32-24-7-3-5-20(17-24)14-16-35-30(40)22-12-10-21(11-13-22)18-27-37-29(38-42-27)28(39)26(9-1-2-15-34)36-31(41)23-6-4-8-25(33)19-23/h3-8,10-13,17,19,26H,1-2,9,14-16,18,34H2,(H,35,40)(H,36,41)/t26-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187166
PNG
(CHEMBL380293 | N-[(S)-5-amino-1-(5-{4-[2-(3-chloro...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H30ClF2N5O4/c32-23-5-3-4-19(16-23)13-15-36-30(41)21-9-7-20(8-10-21)17-27-38-29(39-43-27)28(40)26(6-1-2-14-35)37-31(42)22-11-12-24(33)25(34)18-22/h3-5,7-12,16,18,26H,1-2,6,13-15,17,35H2,(H,36,41)(H,37,42)/t26-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187160
PNG
(CHEMBL213928 | N-[(2S)-6-amino-1-{5-[(4-{[2-(3-chl...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H31ClFN5O4/c32-24-5-3-4-20(18-24)15-17-35-30(40)22-9-7-21(8-10-22)19-27-37-29(38-42-27)28(39)26(6-1-2-16-34)36-31(41)23-11-13-25(33)14-12-23/h3-5,7-14,18,26H,1-2,6,15-17,19,34H2,(H,35,40)(H,36,41)/t26-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187163
PNG
((S)-benzyl 1-(5-(4-((3-chlorophenethyl)carbamoyl)b...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C32H34ClN5O5/c33-26-10-6-9-22(19-26)16-18-35-31(40)25-14-12-23(13-15-25)20-28-37-30(38-43-28)29(39)27(11-4-5-17-34)36-32(41)42-21-24-7-2-1-3-8-24/h1-3,6-10,12-15,19,27H,4-5,11,16-18,20-21,34H2,(H,35,40)(H,36,41)/t27-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187176
PNG
((S)-ethyl 1-(5-(4-((3-chlorophenethyl)carbamoyl)be...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C27H32ClN5O5/c1-2-37-27(36)31-22(8-3-4-14-29)24(34)25-32-23(38-33-25)17-19-9-11-20(12-10-19)26(35)30-15-13-18-6-5-7-21(28)16-18/h5-7,9-12,16,22H,2-4,8,13-15,17,29H2,1H3,(H,30,35)(H,31,36)/t22-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187168
PNG
(CHEMBL377656 | N-[(2S)-6-amino-1-{5-[(4-{[2-(3-chl...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H31Cl2N5O4/c32-24-13-11-23(12-14-24)31(41)36-26(6-1-2-16-34)28(39)29-37-27(42-38-29)19-21-7-9-22(10-8-21)30(40)35-17-15-20-4-3-5-25(33)18-20/h3-5,7-14,18,26H,1-2,6,15-17,19,34H2,(H,35,40)(H,36,41)/t26-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187162
PNG
((S)-N-(3-chlorophenethyl)-4-((3-(6-amino-2-pivalam...)
Show SMILES CC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C29H36ClN5O4/c1-29(2,3)28(38)33-23(9-4-5-15-31)25(36)26-34-24(39-35-26)18-20-10-12-21(13-11-20)27(37)32-16-14-19-7-6-8-22(30)17-19/h6-8,10-13,17,23H,4-5,9,14-16,18,31H2,1-3H3,(H,32,37)(H,33,38)/t23-/m0/s1
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2n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187182
PNG
((S)-N-(1-(5-(4-((3-chlorophenethyl)carbamoyl)benzy...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc2OCOc2c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C32H32ClN5O6/c33-24-5-3-4-20(16-24)13-15-35-31(40)22-9-7-21(8-10-22)17-28-37-30(38-44-28)29(39)25(6-1-2-14-34)36-32(41)23-11-12-26-27(18-23)43-19-42-26/h3-5,7-12,16,18,25H,1-2,6,13-15,17,19,34H2,(H,35,40)(H,36,41)/t25-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187164
PNG
((S)-benzyl 1-(5-(4-((2-(thiophen-2-yl)ethyl)carbam...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccs2)n1
Show InChI InChI=1S/C30H33N5O5S/c31-16-5-4-10-25(33-30(38)39-20-22-7-2-1-3-8-22)27(36)28-34-26(40-35-28)19-21-11-13-23(14-12-21)29(37)32-17-15-24-9-6-18-41-24/h1-3,6-9,11-14,18,25H,4-5,10,15-17,19-20,31H2,(H,32,37)(H,33,38)/t25-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM14312
PNG
(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
Show InChI InChI=1S/C28H33N5O5/c1-2-37-28(36)31-23(9-5-6-14-29)25(34)26-32-24(38-33-26)15-18-10-12-19(13-11-18)27(35)30-22-16-20-7-3-4-8-21(20)17-22/h3-4,7-8,10-13,22-23H,2,5-6,9,14-17,29H2,1H3,(H,30,35)(H,31,36)/t23-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187169
PNG
((S)-benzyl 1-(5-(4-((2-(4-fluorophenoxy)ethyl)carb...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCOc2ccc(F)cc2)n1
Show InChI InChI=1S/C32H34FN5O6/c33-25-13-15-26(16-14-25)42-19-18-35-31(40)24-11-9-22(10-12-24)20-28-37-30(38-44-28)29(39)27(8-4-5-17-34)36-32(41)43-21-23-6-2-1-3-7-23/h1-3,6-7,9-16,27H,4-5,8,17-21,34H2,(H,35,40)(H,36,41)/t27-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187179
PNG
((S)-benzyl 1-(5-(4-((3-phenylpropyl)carbamoyl)benz...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCCc2ccccc2)n1
Show InChI InChI=1S/C33H37N5O5/c34-20-8-7-15-28(36-33(41)42-23-26-12-5-2-6-13-26)30(39)31-37-29(43-38-31)22-25-16-18-27(19-17-25)32(40)35-21-9-14-24-10-3-1-4-11-24/h1-6,10-13,16-19,28H,7-9,14-15,20-23,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187154
PNG
((S)-benzyl 1-(5-(4-(phenethylcarbamoyl)benzyl)-1,2...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2ccccc2)n1
Show InChI InChI=1S/C32H35N5O5/c33-19-8-7-13-27(35-32(40)41-22-25-11-5-2-6-12-25)29(38)30-36-28(42-37-30)21-24-14-16-26(17-15-24)31(39)34-20-18-23-9-3-1-4-10-23/h1-6,9-12,14-17,27H,7-8,13,18-22,33H2,(H,34,39)(H,35,40)/t27-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187157
PNG
((S)-benzyl 1-(5-(4-((3,5-difluorophenethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C32H33F2N5O5/c33-25-16-23(17-26(34)19-25)13-15-36-31(41)24-11-9-21(10-12-24)18-28-38-30(39-44-28)29(40)27(8-4-5-14-35)37-32(42)43-20-22-6-2-1-3-7-22/h1-3,6-7,9-12,16-17,19,27H,4-5,8,13-15,18,20,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187165
PNG
((S)-benzyl 1-(5-(4-(cinnamylcarbamoyl)benzyl)-1,2,...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC\C=C\c2ccccc2)n1
Show InChI InChI=1S/C33H35N5O5/c34-20-8-7-15-28(36-33(41)42-23-26-12-5-2-6-13-26)30(39)31-37-29(43-38-31)22-25-16-18-27(19-17-25)32(40)35-21-9-14-24-10-3-1-4-11-24/h1-6,9-14,16-19,28H,7-8,15,20-23,34H2,(H,35,40)(H,36,41)/b14-9+/t28-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187158
PNG
((S)-benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)car...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H35N5O5/c34-17-7-6-12-28(36-33(41)42-21-23-8-2-1-3-9-23)30(39)31-37-29(43-38-31)18-22-13-15-24(16-14-22)32(40)35-27-19-25-10-4-5-11-26(25)20-27/h1-5,8-11,13-16,27-28H,6-7,12,17-21,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187172
PNG
((S)-benzyl 6-amino-1-oxo-1-(5-((4-(4-phenylbutyl)p...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCCc3ccccc3)CC2)n1
Show InChI InChI=1S/C31H42N6O4/c32-17-9-7-16-27(33-31(39)40-24-26-14-5-2-6-15-26)29(38)30-34-28(41-35-30)23-37-21-19-36(20-22-37)18-10-8-13-25-11-3-1-4-12-25/h1-6,11-12,14-15,27H,7-10,13,16-24,32H2,(H,33,39)/t27-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187178
PNG
((S)-benzyl 1-(5-(4-((3-(trifluoromethyl)phenethyl)...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C33H34F3N5O5/c34-33(35,36)26-10-6-9-22(19-26)16-18-38-31(43)25-14-12-23(13-15-25)20-28-40-30(41-46-28)29(42)27(11-4-5-17-37)39-32(44)45-21-24-7-2-1-3-8-24/h1-3,6-10,12-15,19,27H,4-5,11,16-18,20-21,37H2,(H,38,43)(H,39,44)/t27-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187151
PNG
((S)-benzyl 1-(5-(4-(isopentylcarbamoyl)benzyl)-1,2...)
Show SMILES CC(C)CCNC(=O)c1ccc(Cc2nc(no2)C(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C29H37N5O5/c1-20(2)15-17-31-28(36)23-13-11-21(12-14-23)18-25-33-27(34-39-25)26(35)24(10-6-7-16-30)32-29(37)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,20,24H,6-7,10,15-19,30H2,1-2H3,(H,31,36)(H,32,37)/t24-/m0/s1
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9.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187175
PNG
((S)-benzyl 6-amino-1-oxo-1-(5-((4-(3-phenylpropyl)...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCc3ccccc3)CC2)n1
Show InChI InChI=1S/C30H40N6O4/c31-16-8-7-15-26(32-30(38)39-23-25-12-5-2-6-13-25)28(37)29-33-27(40-34-29)22-36-20-18-35(19-21-36)17-9-14-24-10-3-1-4-11-24/h1-6,10-13,26H,7-9,14-23,31H2,(H,32,38)/t26-/m0/s1
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11n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187171
PNG
((S)-benzyl 1-(5-(4-((naphthalen-2-ylmethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C35H35N5O5/c36-19-7-6-12-30(38-35(43)44-23-25-8-2-1-3-9-25)32(41)33-39-31(45-40-33)21-24-13-17-28(18-14-24)34(42)37-22-26-15-16-27-10-4-5-11-29(27)20-26/h1-5,8-11,13-18,20,30H,6-7,12,19,21-23,36H2,(H,37,42)(H,38,43)/t30-/m0/s1
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11n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187152
PNG
((S)-benzyl 1-(5-(4-phenethoxybenzyl)-1,2,4-oxadiaz...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
Show InChI InChI=1S/C31H34N4O5/c32-19-8-7-13-27(33-31(37)39-22-25-11-5-2-6-12-25)29(36)30-34-28(40-35-30)21-24-14-16-26(17-15-24)38-20-18-23-9-3-1-4-10-23/h1-6,9-12,14-17,27H,7-8,13,18-22,32H2,(H,33,37)/t27-/m0/s1
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12n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187173
PNG
((S)-benzyl 1-(5-(4-((naphthalen-1-ylmethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C35H35N5O5/c36-20-7-6-15-30(38-35(43)44-23-25-9-2-1-3-10-25)32(41)33-39-31(45-40-33)21-24-16-18-27(19-17-24)34(42)37-22-28-13-8-12-26-11-4-5-14-29(26)28/h1-5,8-14,16-19,30H,6-7,15,20-23,36H2,(H,37,42)(H,38,43)/t30-/m0/s1
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13n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187180
PNG
((S)-benzyl 1-(5-(4-((3,4-dichlorophenethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C32H33Cl2N5O5/c33-25-14-11-22(18-26(25)34)15-17-36-31(41)24-12-9-21(10-13-24)19-28-38-30(39-44-28)29(40)27(8-4-5-16-35)37-32(42)43-20-23-6-2-1-3-7-23/h1-3,6-7,9-14,18,27H,4-5,8,15-17,19-20,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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16n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187174
PNG
((S)-benzyl 6-amino-1-oxo-1-(5-((4-(4-phenylbutanoy...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CC2)C(=O)CCCc2ccccc2)n1
Show InChI InChI=1S/C31H40N6O5/c32-17-8-7-15-26(33-31(40)41-23-25-12-5-2-6-13-25)29(39)30-34-27(42-35-30)22-36-18-20-37(21-19-36)28(38)16-9-14-24-10-3-1-4-11-24/h1-6,10-13,26H,7-9,14-23,32H2,(H,33,40)/t26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187156
PNG
((S)-benzyl 1-(5-(4-(benzylcarbamoyl)benzyl)-1,2,4-...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C31H33N5O5/c32-18-8-7-13-26(34-31(39)40-21-24-11-5-2-6-12-24)28(37)29-35-27(41-36-29)19-22-14-16-25(17-15-22)30(38)33-20-23-9-3-1-4-10-23/h1-6,9-12,14-17,26H,7-8,13,18-21,32H2,(H,33,38)(H,34,39)/t26-/m0/s1
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37n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187153
PNG
((S)-benzyl 1-(5-(4-((3,4-dimethylbenzyl)carbamoyl)...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(Cc3nc(no3)C(=O)[C@H](CCCCN)NC(=O)OCc3ccccc3)cc2)cc1C
Show InChI InChI=1S/C33H37N5O5/c1-22-11-12-26(18-23(22)2)20-35-32(40)27-15-13-24(14-16-27)19-29-37-31(38-43-29)30(39)28(10-6-7-17-34)36-33(41)42-21-25-8-4-3-5-9-25/h3-5,8-9,11-16,18,28H,6-7,10,17,19-21,34H2,1-2H3,(H,35,40)(H,36,41)/t28-/m0/s1
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39n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187800
PNG
((S)-ethyl 1-(5-(4-phenethoxybenzyl)-1,2,4-oxadiazo...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1
Show InChI InChI=1S/C26H32N4O5/c1-2-33-26(32)28-22(10-6-7-16-27)24(31)25-29-23(35-30-25)18-20-11-13-21(14-12-20)34-17-15-19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18,27H2,1H3,(H,28,32)/t22-/m0/s1
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46.5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to recombinant cynomolgus monkey tryptase


Bioorg Med Chem Lett 16: 4085-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.088
BindingDB Entry DOI: 10.7270/Q2X929W7
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187155
PNG
((S)-benzyl 1-(5-(4-((4-phenylbutyl)carbamoyl)benzy...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCCCc2ccccc2)n1
Show InChI InChI=1S/C34H39N5O5/c35-21-9-7-16-29(37-34(42)43-24-27-14-5-2-6-15-27)31(40)32-38-30(44-39-32)23-26-17-19-28(20-18-26)33(41)36-22-10-8-13-25-11-3-1-4-12-25/h1-6,11-12,14-15,17-20,29H,7-10,13,16,21-24,35H2,(H,36,41)(H,37,42)/t29-/m0/s1
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60n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187170
PNG
((S)-benzyl 1-(5-(4-(1-(2-fluorobenzyl)piperazine-4...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)N2CCN(Cc3ccccc3F)CC2)n1
Show InChI InChI=1S/C35H39FN6O5/c36-29-11-5-4-10-28(29)23-41-18-20-42(21-19-41)34(44)27-15-13-25(14-16-27)22-31-39-33(40-47-31)32(43)30(12-6-7-17-37)38-35(45)46-24-26-8-2-1-3-9-26/h1-5,8-11,13-16,30H,6-7,12,17-24,37H2,(H,38,45)/t30-/m0/s1
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140n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187161
PNG
((S)-benzyl 1-(5-(4-((4-(trifluoromethyl)phenethyl)...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C33H34F3N5O5/c34-33(35,36)26-15-11-22(12-16-26)17-19-38-31(43)25-13-9-23(10-14-25)20-28-40-30(41-46-28)29(42)27(8-4-5-18-37)39-32(44)45-21-24-6-2-1-3-7-24/h1-3,6-7,9-16,27H,4-5,8,17-21,37H2,(H,38,43)(H,39,44)/t27-/m0/s1
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220n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187183
PNG
((S)-benzyl 6-amino-1-oxo-1-(5-((4-(3-phenylpropano...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CC2)C(=O)CCc2ccccc2)n1
Show InChI InChI=1S/C30H38N6O5/c31-16-8-7-13-25(32-30(39)40-22-24-11-5-2-6-12-24)28(38)29-33-26(41-34-29)21-35-17-19-36(20-18-35)27(37)15-14-23-9-3-1-4-10-23/h1-6,9-12,25H,7-8,13-22,31H2,(H,32,39)/t25-/m0/s1
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230n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187159
PNG
((S)-benzyl 4-((3-(6-amino-2-(benzyloxycarbonyl)hex...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CC2)C(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C29H36N6O6/c30-14-8-7-13-24(31-28(37)39-20-22-9-3-1-4-10-22)26(36)27-32-25(41-33-27)19-34-15-17-35(18-16-34)29(38)40-21-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21,30H2,(H,31,37)/t24-/m0/s1
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470n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50187181
PNG
((S)-benzyl 1-(5-(4-methoxybenzyl)-1,2,4-oxadiazol-...)
Show SMILES COc1ccc(Cc2nc(no2)C(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C24H28N4O5/c1-31-19-12-10-17(11-13-19)15-21-27-23(28-33-21)22(29)20(9-5-6-14-25)26-24(30)32-16-18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16,25H2,1H3,(H,26,30)/t20-/m0/s1
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770n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184499
PNG
(CHEMBL208638 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2
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n/an/a 5n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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n/an/a 51n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184504
PNG
(CHEMBL380668 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C22H27N3O2S/c23-17-19-9-7-18(8-10-19)4-3-13-24-14-15-25-28(26,27)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,24-25H,3-4,13-15,17,23H2
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n/an/a 73n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184505
PNG
(CHEMBL415045 | N-(2-((3-(4-(aminomethyl)phenyl)pro...)
Show SMILES CN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H29N3O2S/c1-26(15-4-5-19-8-10-20(18-24)11-9-19)16-14-25-29(27,28)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,25H,4-5,14-16,18,24H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184508
PNG
(CHEMBL207193 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C20H25N3O2S2/c21-15-17-9-7-16(8-10-17)4-3-11-22-12-13-23-27(24,25)20-14-18-5-1-2-6-19(18)26-20/h1-2,5-10,14,22-23H,3-4,11-13,15,21H2
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n/an/a 130n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184512
PNG
(CHEMBL438621 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3CCNCc3c2)cc1
Show InChI InChI=1S/C21H30N4O2S/c22-15-18-5-3-17(4-6-18)2-1-10-23-12-13-25-28(26,27)21-8-7-19-9-11-24-16-20(19)14-21/h3-8,14,23-25H,1-2,9-13,15-16,22H2
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n/an/a 190n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184513
PNG
(CHEMBL208526 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C21H29N3O2S/c22-16-18-8-6-17(7-9-18)3-2-12-23-13-14-24-27(25,26)21-11-10-19-4-1-5-20(19)15-21/h6-11,15,23-24H,1-5,12-14,16,22H2
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n/an/a 200n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184514
PNG
(CHEMBL379328 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3sccc3c2)cc1
Show InChI InChI=1S/C20H25N3O2S2/c21-15-17-5-3-16(4-6-17)2-1-10-22-11-12-23-27(24,25)19-7-8-20-18(14-19)9-13-26-20/h3-9,13-14,22-23H,1-2,10-12,15,21H2
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n/an/a 210n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184500
PNG
(CHEMBL377266 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES Cc1nc2ccc(cc2s1)S(=O)(=O)NCCNCCCc1ccc(CN)cc1
Show InChI InChI=1S/C20H26N4O2S2/c1-15-24-19-9-8-18(13-20(19)27-15)28(25,26)23-12-11-22-10-2-3-16-4-6-17(14-21)7-5-16/h4-9,13,22-23H,2-3,10-12,14,21H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184507
PNG
(CHEMBL207229 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H25N3O2S/c19-15-17-10-8-16(9-11-17)5-4-12-20-13-14-21-24(22,23)18-6-2-1-3-7-18/h1-3,6-11,20-21H,4-5,12-15,19H2
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n/an/a 760n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184506
PNG
(CHEMBL207025 | N-(2-(4-(aminomethyl)phenethylamino...)
Show SMILES NCc1ccc(CCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C21H25N3O2S/c22-16-18-7-5-17(6-8-18)11-12-23-13-14-24-27(25,26)21-10-9-19-3-1-2-4-20(19)15-21/h1-10,15,23-24H,11-14,16,22H2
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n/an/a 810n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184501
PNG
(CHEMBL379752 | N-(3-(4-(aminomethyl)phenyl)propyl)...)
Show SMILES NCc1ccc(CCCNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C22H25N3O3S/c23-15-18-9-7-17(8-10-18)4-3-13-24-22(26)16-25-29(27,28)21-12-11-19-5-1-2-6-20(19)14-21/h1-2,5-12,14,25H,3-4,13,15-16,23H2,(H,24,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184503
PNG
(CHEMBL207622 | N-(2-((1-(4-(aminomethyl)phenyl)pip...)
Show SMILES NCc1ccc(cc1)N1CCC(CNCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H32N4O2S/c26-18-20-5-8-24(9-6-20)29-15-11-21(12-16-29)19-27-13-14-28-32(30,31)25-10-7-22-3-1-2-4-23(22)17-25/h1-10,17,21,27-28H,11-16,18-19,26H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184509
PNG
(1-(4-(aminomethyl)phenyl)-N-((1-(naphthalen-2-ylsu...)
Show SMILES NCc1ccc(cc1)N1CCC(CC1)NCC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H36N4O2S/c29-20-22-5-8-27(9-6-22)31-15-13-26(14-16-31)30-21-23-11-17-32(18-12-23)35(33,34)28-10-7-24-3-1-2-4-25(24)19-28/h1-10,19,23,26,30H,11-18,20-21,29H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184511
PNG
((4-(4-((4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)...)
Show SMILES NCc1ccc(cc1)N1CCC(CN2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C27H34N4O2S/c28-20-22-5-8-26(9-6-22)30-13-11-23(12-14-30)21-29-15-17-31(18-16-29)34(32,33)27-10-7-24-3-1-2-4-25(24)19-27/h1-10,19,23H,11-18,20-21,28H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
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