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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for complexid = 50000284,50000286,50000287   
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))
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
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184510
PNG
(CHEMBL207399 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCOCCNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C22H26N2O3S/c23-17-19-9-7-18(8-10-19)4-3-14-27-15-13-24-28(25,26)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,24H,3-4,13-15,17,23H2
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n/an/a 5.70E+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))
BDBM50184502
PNG
(CHEMBL206951 | N-(1-(4-(aminomethyl)phenyl)piperid...)
Show SMILES NCc1ccc(cc1)N1CCC(CC1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N4O3S/c29-20-21-5-8-26(9-6-21)31-15-13-25(14-16-31)30-28(33)23-11-17-32(18-12-23)36(34,35)27-10-7-22-3-1-2-4-24(22)19-27/h1-10,19,23,25H,11-18,20,29H2,(H,30,33)
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n/an/a 2.11E+4n/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