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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'sides' and Initial = 'k'   
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 beta-2


(Homo sapiens (Human))
BDBM50156461
PNG
(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Show SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C26H24FN5O3S/c27-21-4-3-15(14-28)10-20(21)16-5-7-32(8-6-16)26(34)19-12-17(23(29)33)11-18(13-19)25-30-24(31-35-25)22-2-1-9-36-22/h1-4,9-13,16H,5-8,14,28H2,(H2,29,33)
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1.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human mast cell tryptase beta


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50156460
PNG
(3-[4-(3-Aminomethyl-phenyl)-piperidine-1-carbonyl]...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C26H25N5O3S/c27-15-16-3-1-4-18(11-16)17-6-8-31(9-7-17)26(33)21-13-19(23(28)32)12-20(14-21)25-29-24(30-34-25)22-5-2-10-35-22/h1-5,10-14,17H,6-9,15,27H2,(H2,28,32)
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1.5n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human mast cell tryptase beta


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50156457
PNG
(CHEMBL186730 | [4-(5-Aminomethyl-2-fluoro-phenyl)-...)
Show SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1nc(no1)-c1cccs1
Show InChI InChI=1S/C25H23FN4O2S/c26-21-7-6-16(15-27)13-20(21)17-8-10-30(11-9-17)25(31)19-4-1-3-18(14-19)24-28-23(29-32-24)22-5-2-12-33-22/h1-7,12-14,17H,8-11,15,27H2
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4.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human mast cell tryptase beta


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167517
PNG
(CHEMBL191546 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12
Show InChI InChI=1S/C25H31N3O2/c1-18-5-3-8-22-23(17-28(24(18)22)13-14-30-2)25(29)27-11-9-20(10-12-27)21-7-4-6-19(15-21)16-26/h3-8,15,17,20H,9-14,16,26H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167534
PNG
(CHEMBL370284 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12
Show InChI InChI=1S/C24H29N3O/c1-3-26-16-22(21-9-4-6-17(2)23(21)26)24(28)27-12-10-19(11-13-27)20-8-5-7-18(14-20)15-25/h4-9,14,16,19H,3,10-13,15,25H2,1-2H3
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41n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167531
PNG
(CHEMBL365527 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12
Show InChI InChI=1S/C25H31N3O/c1-3-12-28-17-23(22-9-4-6-18(2)24(22)28)25(29)27-13-10-20(11-14-27)21-8-5-7-19(15-21)16-26/h4-9,15,17,20H,3,10-14,16,26H2,1-2H3
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41n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167524
PNG
(CHEMBL192963 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C25H31N3O/c1-2-3-13-28-18-23(22-9-4-5-10-24(22)28)25(29)27-14-11-20(12-15-27)21-8-6-7-19(16-21)17-26/h4-10,16,18,20H,2-3,11-15,17,26H2,1H3
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49n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167525
PNG
(CHEMBL193514 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C24H29N3O2/c1-29-14-13-27-17-22(21-7-2-3-8-23(21)27)24(28)26-11-9-19(10-12-26)20-6-4-5-18(15-20)16-25/h2-8,15,17,19H,9-14,16,25H2,1H3
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57n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50156459
PNG
(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Show SMILES CCOC(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(=O)N1CCC(CC1)c1cc(CN)ccc1F
Show InChI InChI=1S/C28H27FN4O4S/c1-2-36-28(35)21-14-19(26-31-25(32-37-26)24-4-3-11-38-24)13-20(15-21)27(34)33-9-7-18(8-10-33)22-12-17(16-30)5-6-23(22)29/h3-6,11-15,18H,2,7-10,16,30H2,1H3
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59n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human mast cell tryptase beta


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167530
PNG
(CHEMBL189101 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES Cc1cccc2c(c[nH]c12)C(=O)N1CCC(CC1)c1cccc(CN)c1
Show InChI InChI=1S/C22H25N3O/c1-15-4-2-7-19-20(14-24-21(15)19)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23/h2-7,12,14,17,24H,8-11,13,23H2,1H3
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61n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167514
PNG
(CHEMBL370463 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12
Show InChI InChI=1S/C26H33N3O/c1-3-4-13-29-18-24(23-10-5-7-19(2)25(23)29)26(30)28-14-11-21(12-15-28)22-9-6-8-20(16-22)17-27/h5-10,16,18,21H,3-4,11-15,17,27H2,1-2H3
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68n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Factor Xa


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50156458
PNG
(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Show SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(O)=O
Show InChI InChI=1S/C26H23FN4O4S/c27-21-4-3-15(14-28)10-20(21)16-5-7-31(8-6-16)25(32)18-11-17(12-19(13-18)26(33)34)24-29-23(30-35-24)22-2-1-9-36-22/h1-4,9-13,16H,5-8,14,28H2,(H,33,34)
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88n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human mast cell tryptase beta


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152197
PNG
(2-[3-(5-Aminomethyl-2,4-dimethyl-benzylamino)-5-ch...)
Show SMILES Cc1cc(C)c(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1CN
Show InChI InChI=1S/C24H29ClN6O2/c1-14-7-15(2)19(9-18(14)11-27)12-28-23-24(33)31(16(3)22(25)30-23)13-21(32)29-20-6-4-5-17(8-20)10-26/h4-9H,10-13,26-27H2,1-3H3,(H,28,30)(H,29,32)
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93n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167520
PNG
(CHEMBL365148 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES Cc1ccc2[nH]cc(C(=O)N3CCC(CC3)c3cccc(CN)c3)c2c1
Show InChI InChI=1S/C22H25N3O/c1-15-5-6-21-19(11-15)20(14-24-21)22(26)25-9-7-17(8-10-25)18-4-2-3-16(12-18)13-23/h2-6,11-12,14,17,24H,7-10,13,23H2,1H3
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101n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167526
PNG
(CHEMBL365189 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CC(C)Cn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C25H31N3O/c1-18(2)16-28-17-23(22-8-3-4-9-24(22)28)25(29)27-12-10-20(11-13-27)21-7-5-6-19(14-21)15-26/h3-9,14,17-18,20H,10-13,15-16,26H2,1-2H3
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116n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167522
PNG
(CHEMBL372028 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C23H27N3O/c1-2-25-16-21(20-8-3-4-9-22(20)25)23(27)26-12-10-18(11-13-26)19-7-5-6-17(14-19)15-24/h3-9,14,16,18H,2,10-13,15,24H2,1H3
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124n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167521
PNG
(CHEMBL364661 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C27H35N3O/c1-2-3-4-7-15-30-20-25(24-11-5-6-12-26(24)30)27(31)29-16-13-22(14-17-29)23-10-8-9-21(18-23)19-28/h5-6,8-12,18,20,22H,2-4,7,13-17,19,28H2,1H3
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125n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167511
PNG
(CHEMBL189531 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c28-18-20-7-6-8-22(17-20)21-13-15-29(16-14-21)27(31)25-19-30(26-12-5-4-11-24(25)26)34(32,33)23-9-2-1-3-10-23/h1-12,17,19,21H,13-16,18,28H2
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128n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152198
PNG
(2-[3-(4-Amino-cyclohexylamino)-5-chloro-6-methyl-2...)
Show SMILES Cc1c(Cl)nc(NC2CC[C@H](N)CC2)c(=O)n1CC(=O)Nc1cccc(CN)c1 |wU:10.10,(.97,.46,;-.37,-.31,;-1.7,.46,;-1.72,2,;-3.03,-.31,;-3.03,-1.86,;-4.39,-2.63,;-5.72,-1.86,;-5.7,-.31,;-7.03,.46,;-8.36,-.31,;-9.72,.46,;-8.39,-1.86,;-7.05,-2.63,;-1.7,-2.63,;-1.7,-4.17,;-.37,-1.86,;.97,-2.63,;2.3,-1.86,;2.3,-.31,;3.66,-2.63,;4.99,-1.86,;4.96,-.31,;6.3,.46,;7.65,-.31,;7.65,-1.86,;8.99,-2.63,;10.32,-1.86,;6.32,-2.63,)|
Show InChI InChI=1S/C20H27ClN6O2/c1-12-18(21)26-19(25-15-7-5-14(23)6-8-15)20(29)27(12)11-17(28)24-16-4-2-3-13(9-16)10-22/h2-4,9,14-15H,5-8,10-11,22-23H2,1H3,(H,24,28)(H,25,26)/t14-,15?
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138n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
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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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
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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140n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167523
PNG
(CHEMBL190103 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(CC2CC2)c2ccccc12
Show InChI InChI=1S/C25H29N3O/c26-15-19-4-3-5-21(14-19)20-10-12-27(13-11-20)25(29)23-17-28(16-18-8-9-18)24-7-2-1-6-22(23)24/h1-7,14,17-18,20H,8-13,15-16,26H2
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141n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167535
PNG
(CHEMBL191007 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES Cn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C22H25N3O/c1-24-15-20(19-7-2-3-8-21(19)24)22(26)25-11-9-17(10-12-25)18-6-4-5-16(13-18)14-23/h2-8,13,15,17H,9-12,14,23H2,1H3
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155n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167533
PNG
(CHEMBL435694 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CS(=O)(=O)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C22H25N3O3S/c1-29(27,28)25-15-20(19-7-2-3-8-21(19)25)22(26)24-11-9-17(10-12-24)18-6-4-5-16(13-18)14-23/h2-8,13,15,17H,9-12,14,23H2,1H3
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162n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167510
PNG
(CHEMBL361040 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C24H29N3O/c1-2-12-27-17-22(21-8-3-4-9-23(21)27)24(28)26-13-10-19(11-14-26)20-7-5-6-18(15-20)16-25/h3-9,15,17,19H,2,10-14,16,25H2,1H3
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185n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167529
PNG
(CHEMBL372912 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C26H26N4O/c27-16-19-5-3-6-21(15-19)20-10-13-29(14-11-20)26(31)24-18-30(22-7-4-12-28-17-22)25-9-2-1-8-23(24)25/h1-9,12,15,17-18,20H,10-11,13-14,16,27H2
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197n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167515
PNG
(1-{3-[4-(3-Aminomethyl-phenyl)-piperidine-1-carbon...)
Show SMILES CC(=O)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c1-16(27)26-15-21(20-7-2-3-8-22(20)26)23(28)25-11-9-18(10-12-25)19-6-4-5-17(13-19)14-24/h2-8,13,15,18H,9-12,14,24H2,1H3
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240n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152202
PNG
(2-[3-(4-Amino-benzylamino)-5-chloro-6-methyl-2-oxo...)
Show SMILES Cc1c(Cl)nc(NCc2ccc(N)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-13-19(22)27-20(25-11-14-5-7-16(24)8-6-14)21(30)28(13)12-18(29)26-17-4-2-3-15(9-17)10-23/h2-9H,10-12,23-24H2,1H3,(H,25,27)(H,26,29)
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245n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167513
PNG
(CHEMBL192214 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(C(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C26H25N3O2S/c27-16-18-5-3-6-20(15-18)19-10-12-28(13-11-19)25(30)22-17-29(23-8-2-1-7-21(22)23)26(31)24-9-4-14-32-24/h1-9,14-15,17,19H,10-13,16,27H2
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246n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152200
PNG
(CHEMBL183528 | N-(3-Aminomethyl-phenyl)-2-{5-chlor...)
Show SMILES Cc1c(Cl)nc(NCC2CCNCC2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C20H27ClN6O2/c1-13-18(21)26-19(24-11-14-5-7-23-8-6-14)20(29)27(13)12-17(28)25-16-4-2-3-15(9-16)10-22/h2-4,9,14,23H,5-8,10-12,22H2,1H3,(H,24,26)(H,25,28)
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290n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167528
PNG
(CHEMBL436537 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H23N3O/c22-13-15-4-3-5-17(12-15)16-8-10-24(11-9-16)21(25)19-14-23-20-7-2-1-6-18(19)20/h1-7,12,14,16,23H,8-11,13,22H2
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290n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167519
PNG
(CHEMBL190135 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CC(C)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C24H29N3O/c1-17(2)27-16-22(21-8-3-4-9-23(21)27)24(28)26-12-10-19(11-13-26)20-7-5-6-18(14-20)15-25/h3-9,14,16-17,19H,10-13,15,25H2,1-2H3
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310n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167527
PNG
(CHEMBL189983 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1c[nH]c2c(F)cccc12
Show InChI InChI=1S/C21H22FN3O/c22-19-6-2-5-17-18(13-24-20(17)19)21(26)25-9-7-15(8-10-25)16-4-1-3-14(11-16)12-23/h1-6,11,13,15,24H,7-10,12,23H2
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368n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167518
PNG
(CHEMBL189372 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(-c2nccs2)c2ccccc12
Show InChI InChI=1S/C24H24N4OS/c25-15-17-4-3-5-19(14-17)18-8-11-27(12-9-18)23(29)21-16-28(24-26-10-13-30-24)22-7-2-1-6-20(21)22/h1-7,10,13-14,16,18H,8-9,11-12,15,25H2
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373n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152205
PNG
(2-[3-(3-Aminomethyl-benzylamino)-5-chloro-6-methyl...)
Show SMILES Cc1c(Cl)nc(NCc2cccc(CN)c2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C22H25ClN6O2/c1-14-20(23)28-21(26-12-17-6-2-4-15(8-17)10-24)22(31)29(14)13-19(30)27-18-7-3-5-16(9-18)11-25/h2-9H,10-13,24-25H2,1H3,(H,26,28)(H,27,30)
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390n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152206
PNG
(CHEMBL187587 | N-(3-Aminomethyl-phenyl)-2-{5-chlor...)
Show SMILES Cc1c(Cl)nc(NCCc2cnc[nH]2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C19H22ClN7O2/c1-12-17(20)26-18(23-6-5-15-9-22-11-24-15)19(29)27(12)10-16(28)25-14-4-2-3-13(7-14)8-21/h2-4,7,9,11H,5-6,8,10,21H2,1H3,(H,22,24)(H,23,26)(H,25,28)
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426n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167516
PNG
(CHEMBL191731 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(CC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H35N3O/c29-18-22-9-6-10-24(17-22)23-13-15-30(16-14-23)28(32)26-20-31(19-21-7-2-1-3-8-21)27-12-5-4-11-25(26)27/h4-6,9-12,17,20-21,23H,1-3,7-8,13-16,18-19,29H2
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497n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152196
PNG
(CHEMBL184815 | N-(3-Aminomethyl-phenyl)-2-{5-chlor...)
Show SMILES Cc1c(Cl)nc(NCC2CCCNC2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C20H27ClN6O2/c1-13-18(21)26-19(24-11-15-5-3-7-23-10-15)20(29)27(13)12-17(28)25-16-6-2-4-14(8-16)9-22/h2,4,6,8,15,23H,3,5,7,9-12,22H2,1H3,(H,24,26)(H,25,28)
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518n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152193
PNG
(CHEMBL187649 | N-(3-Aminomethyl-phenyl)-2-{3-[(6-a...)
Show SMILES Cc1nc(N)ccc1CNc1nc(Cl)c(C)n(CC(=O)Nc2cccc(CN)c2)c1=O
Show InChI InChI=1S/C21H24ClN7O2/c1-12-15(6-7-17(24)26-12)10-25-20-21(31)29(13(2)19(22)28-20)11-18(30)27-16-5-3-4-14(8-16)9-23/h3-8H,9-11,23H2,1-2H3,(H2,24,26)(H,25,28)(H,27,30)
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580n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152203
PNG
(2-[3-(4-Aminomethyl-benzylamino)-5-chloro-6-methyl...)
Show SMILES Cc1c(Cl)nc(NCc2ccc(CN)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C22H25ClN6O2/c1-14-20(23)28-21(26-12-16-7-5-15(10-24)6-8-16)22(31)29(14)13-19(30)27-18-4-2-3-17(9-18)11-25/h2-9H,10-13,24-25H2,1H3,(H,26,28)(H,27,30)
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615n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152194
PNG
(2-[3-(2-Amino-benzylamino)-5-chloro-6-methyl-2-oxo...)
Show SMILES Cc1c(Cl)nc(NCc2ccccc2N)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-13-19(22)27-20(25-11-15-6-2-3-8-17(15)24)21(30)28(13)12-18(29)26-16-7-4-5-14(9-16)10-23/h2-9H,10-12,23-24H2,1H3,(H,25,27)(H,26,29)
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875n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152204
PNG
(CHEMBL360210 | N-(3-Aminomethyl-phenyl)-2-[5-chlor...)
Show SMILES Cc1c(Cl)nc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C23H24ClN5O2/c1-14-21(24)28-22(27-19-10-16-6-2-3-7-17(16)11-19)23(31)29(14)13-20(30)26-18-8-4-5-15(9-18)12-25/h2-9,19H,10-13,25H2,1H3,(H,26,30)(H,27,28)
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970n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152195
PNG
(CHEMBL187168 | N-(3-Aminomethyl-phenyl)-2-[3-(4-be...)
Show SMILES Cc1c(Cl)nc(N2CCC(CC2)n2cnc3ccccc23)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C26H28ClN7O2/c1-17-24(27)31-25(26(36)33(17)15-23(35)30-19-6-4-5-18(13-19)14-28)32-11-9-20(10-12-32)34-16-29-21-7-2-3-8-22(21)34/h2-8,13,16,20H,9-12,14-15,28H2,1H3,(H,30,35)
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1.24E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152201
PNG
(CHEMBL187651 | N-(3-Aminomethyl-phenyl)-2-[5-chlor...)
Show SMILES COc1ccc(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1
Show InChI InChI=1S/C22H24ClN5O3/c1-14-20(23)27-21(25-12-15-6-8-18(31-2)9-7-15)22(30)28(14)13-19(29)26-17-5-3-4-16(10-17)11-24/h3-10H,11-13,24H2,1-2H3,(H,25,27)(H,26,29)
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1.55E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50152199
PNG
(CHEMBL183942 | N-(3-Aminomethyl-phenyl)-2-(5-chlor...)
Show SMILES Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-15-20(23)27-21(25-11-10-16-6-3-2-4-7-16)22(30)28(15)14-19(29)26-18-9-5-8-17(12-18)13-24/h2-9,12H,10-11,13-14,24H2,1H3,(H,25,27)(H,26,29)
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1.55E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tryptase beta 2 expressed in yeast cells


Bioorg Med Chem Lett 14: 4819-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.051
BindingDB Entry DOI: 10.7270/Q2H994NZ
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167532
PNG
(CHEMBL191072 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES Cc1cccc2[nH]cc(C(=O)N3CCC(CC3)c3cccc(CN)c3)c12
Show InChI InChI=1S/C22H25N3O/c1-15-4-2-7-20-21(15)19(14-24-20)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23/h2-7,12,14,17,24H,8-11,13,23H2,1H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167512
PNG
(CHEMBL188104 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)c1cccc(CN)c1
Show InChI InChI=1S/C22H25N3O/c1-15-5-6-19-20(14-24-21(19)11-15)22(26)25-9-7-17(8-10-25)18-4-2-3-16(12-18)13-23/h2-6,11-12,14,17,24H,7-10,13,23H2,1H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Tryptase beta-2


(Homo sapiens (Human))
BDBM50167514
PNG
(CHEMBL370463 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12
Show InChI InChI=1S/C26H33N3O/c1-3-4-13-29-18-24(23-10-5-7-19(2)25(23)29)26(30)28-14-11-21(12-15-28)22-9-6-8-20(16-22)17-27/h5-10,16,18,21H,3-4,11-15,17,27H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50156457
PNG
(CHEMBL186730 | [4-(5-Aminomethyl-2-fluoro-phenyl)-...)
Show SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1nc(no1)-c1cccs1
Show InChI InChI=1S/C25H23FN4O2S/c26-21-7-6-16(15-27)13-20(21)17-8-10-30(11-9-17)25(31)19-4-1-3-18(14-19)24-28-23(29-32-24)22-5-2-12-33-22/h1-7,12-14,17H,8-11,15,27H2
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n/an/a 480n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates tolbutamide (2C9)


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50156457
PNG
(CHEMBL186730 | [4-(5-Aminomethyl-2-fluoro-phenyl)-...)
Show SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1nc(no1)-c1cccs1
Show InChI InChI=1S/C25H23FN4O2S/c26-21-7-6-16(15-27)13-20(21)17-8-10-30(11-9-17)25(31)19-4-1-3-18(14-19)24-28-23(29-32-24)22-5-2-12-33-22/h1-7,12-14,17H,8-11,15,27H2
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n/an/a 800n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Potassium channel HERG


Bioorg Med Chem Lett 14: 6053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.065
BindingDB Entry DOI: 10.7270/Q2KH0MST
More data for this
Ligand-Target Pair
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