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Compile Data Set for Download or QSAR

Found 528 hits Enz. Inhib. hit(s) with Target = 'Tryptase'   
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


(Homo sapiens)
BDBM14307
PNG
((2R)-N-[(1S)-1-{[6-amino-1-(1,3-benzothiazol-2-yl)...)
Show SMILES NCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H41N5O5S2/c39-23-13-12-21-31(35(44)38-42-30-20-10-11-22-34(30)49-38)40-36(45)32(24-27-14-4-1-5-15-27)41-37(46)33(25-28-16-6-2-7-17-28)43-50(47,48)26-29-18-8-3-9-19-29/h1-11,14-20,22,31-33,43H,12-13,21,23-26,39H2,(H,40,45)(H,41,46)/t31?,32-,33+/m0/s1
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23 -43.2n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14169
PNG
(4-Iodobenzo[b]thiophene-2-carboxamidine | APC-6860...)
Show SMILES NC(=[NH2+])c1cc2c(I)cccc2s1
Show InChI InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1
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1.50E+3 -32.9n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14297
PNG
(benzthiazole analog 1 | benzyl N-[(2S)-6-amino-1-(...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H23N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12,17H,6-7,11,13-14,22H2,(H,24,26)/t17-/m0/s1
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PubMed
7.30E+3 -29.0n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14170
PNG
(APC-7377 | Benzo[b]thiophene-2-carboxamidine | [am...)
Show SMILES NC(=[NH2+])c1cc2ccccc2s1
Show InChI InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
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9.90E+3 -28.3n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14299
PNG
(benzthiazole analog 2 | benzyl N-[(2S)-1-(1,3-benz...)
Show SMILES O=C(N[C@@H](Cc1cc2cnccc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1
Show InChI InChI=1S/C25H20N4O3S/c30-23(24-28-20-8-4-5-9-22(20)33-24)21(13-18-12-17-14-26-11-10-19(17)27-18)29-25(31)32-15-16-6-2-1-3-7-16/h1-12,14,21,27H,13,15H2,(H,29,31)/t21-/m0/s1
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1.20E+4 -27.8n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14308
PNG
((2S)-N-[3-(2-amino-1H-1,3-benzodiazol-5-yl)-1-(1,3...)
Show SMILES Nc1nc2ccc(CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)C(=O)c3nc4ccccc4s3)cc2[nH]1
Show InChI InChI=1S/C42H39N7O5S2/c43-42-47-31-21-20-30(24-33(31)48-42)25-34(38(50)41-46-32-18-10-11-19-37(32)55-41)44-39(51)35(22-27-12-4-1-5-13-27)45-40(52)36(23-28-14-6-2-7-15-28)49-56(53,54)26-29-16-8-3-9-17-29/h1-21,24,34-36,49H,22-23,25-26H2,(H,44,51)(H,45,52)(H3,43,47,48)/t34?,35-,36+/m0/s1
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1.80E+4 -26.8n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
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2.00E+4 -26.6n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14300
PNG
(benzthiazole analog 3 | benzyl N-[(2S,4E)-6-amino-...)
Show SMILES NCCCCC(=NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12H,6-7,11,13-14,22H2
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2.50E+4 -26.0n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14309
PNG
(2-Aminobenzimidazole Compound 13 | N-[3-(2-amino-1...)
Show SMILES CC(=O)NC(Cc1ccc2nc(N)[nH]c2c1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17N5O2S/c1-10(25)21-15(9-11-6-7-12-14(8-11)24-19(20)23-12)17(26)18-22-13-4-2-3-5-16(13)27-18/h2-8,15H,9H2,1H3,(H,21,25)(H3,20,23,24)
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3.10E+4 -25.5n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
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3.40E+4 -25.2n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14301
PNG
(benzthiazole analog 4 | benzyl N-[(2S)-1-(1,3-benz...)
Show SMILES O=C(N[C@@H](Cc1cc2ccncc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1
Show InChI InChI=1S/C25H20N4O3S/c30-23(24-28-19-8-4-5-9-22(19)33-24)20(13-18-12-17-10-11-26-14-21(17)27-18)29-25(31)32-15-16-6-2-1-3-7-16/h1-12,14,20,27H,13,15H2,(H,29,31)/t20-/m0/s1
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4.50E+4 -24.6n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14310
PNG
(2-Aminobenzimidazole Compound 14 | 3-(2-amino-1H-1...)
Show SMILES Nc1nc2ccc(CCC(=O)c3nc4ccccc4s3)cc2[nH]1
Show InChI InChI=1S/C17H14N4OS/c18-17-20-11-7-5-10(9-13(11)21-17)6-8-14(22)16-19-12-3-1-2-4-15(12)23-16/h1-5,7,9H,6,8H2,(H3,18,20,21)
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9.40E+4 -22.8n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM7960
PNG
(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
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1.10E+5 -22.4n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14305
PNG
(benzthiazole analog 8 | benzyl N-[(2S)-1-(1,3-benz...)
Show SMILES Clc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)cn1
Show InChI InChI=1S/C23H18ClN3O3S/c24-20-11-10-16(13-25-20)12-18(27-23(29)30-14-15-6-2-1-3-7-15)21(28)22-26-17-8-4-5-9-19(17)31-22/h1-11,13,18H,12,14H2,(H,27,29)/t18-/m0/s1
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14304
PNG
(benzthiazole analog 7 | benzyl N-[(2S)-3-(3-amino-...)
Show SMILES Nc1n[nH]c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)c3nc4ccccc4s3)cc12
Show InChI InChI=1S/C25H21N5O3S/c26-23-17-12-16(10-11-18(17)29-30-23)13-20(28-25(32)33-14-15-6-2-1-3-7-15)22(31)24-27-19-8-4-5-9-21(19)34-24/h1-12,20H,13-14H2,(H,28,32)(H3,26,29,30)/t20-/m0/s1
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14303
PNG
(benzthiazole analog 6 | benzyl N-[(2S)-3-[(3R)-3-a...)
Show SMILES N[C@@H]1CCN(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)C1
Show InChI InChI=1S/C22H24N4O3S/c23-16-10-11-26(12-16)13-18(25-22(28)29-14-15-6-2-1-3-7-15)20(27)21-24-17-8-4-5-9-19(17)30-21/h1-9,16,18H,10-14,23H2,(H,25,28)/t16-,18+/m1/s1
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM14302
PNG
(benzthiazole analog 5 | benzyl N-[(2S)-3-(6-aminop...)
Show SMILES Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)cn1
Show InChI InChI=1S/C23H20N4O3S/c24-20-11-10-16(13-25-20)12-18(27-23(29)30-14-15-6-2-1-3-7-15)21(28)22-26-17-8-4-5-9-19(17)31-22/h1-11,13,18H,12,14H2,(H2,24,25)(H,27,29)/t18-/m0/s1
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>1.50E+5>-21.6n/an/an/an/an/a7.422



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
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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5 -46.9n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16304
PNG
(2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22)
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50 -41.3n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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69.5 -40.4n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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310 -36.8n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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PubMed
1.60E+3 -32.7n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16305
PNG
(2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...)
Show SMILES NC(=N)c1ccc2nc(Cc3ncc[nH]3)[nH]c2c1
Show InChI InChI=1S/C12H12N6/c13-12(14)7-1-2-8-9(5-7)18-11(17-8)6-10-15-3-4-16-10/h1-5H,6H2,(H3,13,14)(H,15,16)(H,17,18)
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1.65E+3 -32.7n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16309
PNG
(2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-6-7-13-14(9-11)22-17(21-13)12-5-1-3-10-4-2-8-20-15(10)12/h1-9H,(H3,18,19)(H,21,22)
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1.10E+4 -28.0n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16308
PNG
(2-(isoquinolin-1-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nccc2ccccc12
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(9-11)22-17(21-13)15-12-4-2-1-3-10(12)7-8-20-15/h1-9H,(H3,18,19)(H,21,22)
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5.45E+4 -24.1n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16310
PNG
(2-(isoquinolin-3-yl)-1H-1,3-benzodiazole-6-carboxi...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C17H13N5/c18-16(19)11-5-6-13-14(8-11)22-17(21-13)15-7-10-3-1-2-4-12(10)9-20-15/h1-9H,(H3,18,19)(H,21,22)
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6.33E+4 -23.7n/an/an/an/an/a8.222



Arris



Assay Description
Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...


Nature 391: 608-12 (1998)


Article DOI: 10.1038/35422
BindingDB Entry DOI: 10.7270/Q29P2ZW9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50083552
PNG
(1,9-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylca...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C37H44N8O6/c38-34(39)24-8-10-28-26(20-24)22-30(50-28)36(48)44-16-12-42(13-17-44)32(46)6-4-2-1-3-5-7-33(47)43-14-18-45(19-15-43)37(49)31-23-27-21-25(35(40)41)9-11-29(27)51-31/h8-11,20-23H,1-7,12-19H2,(H3,38,39)(H3,40,41)
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0.0190n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50083561
PNG
(1-{4-[5-amino(imino)methylbenzo[b]thiophen-2-ylcar...)
Show SMILES NC(=N)c1ccc2sc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3s2)C(N)=N)cc1
Show InChI InChI=1S/C38H38N8O6S2/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)
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0.0280n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50083556
PNG
(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CO[C@H]1CCC[C@H](CCC1)OCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C40H48N8O8/c41-37(42)25-7-9-31-27(19-25)21-33(55-31)39(51)47-15-11-45(12-16-47)35(49)23-53-29-3-1-4-30(6-2-5-29)54-24-36(50)46-13-17-48(18-14-46)40(52)34-22-28-20-26(38(43)44)8-10-32(28)56-34/h7-10,19-22,29-30H,1-6,11-18,23-24H2,(H3,41,42)(H3,43,44)/t29-,30+
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0.0290n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50083541
PNG
(1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothien...)
Show SMILES NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1
Show InChI InChI=1S/C36H44N10O6S2/c37-35(38)45-7-5-27-23(19-45)17-29(53-27)33(49)43-13-9-41(10-14-43)31(47)21-51-25-1-2-26(4-3-25)52-22-32(48)42-11-15-44(16-12-42)34(50)30-18-24-20-46(36(39)40)8-6-28(24)54-30/h1-4,17-18H,5-16,19-22H2,(H3,37,38)(H3,39,40)
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0.0460n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50083548
PNG
(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1
Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)
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0.0570n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093142
PNG
(1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)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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0.0700n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase enzyme


Bioorg Med Chem Lett 11: 2325-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00444-9
BindingDB Entry DOI: 10.7270/Q21835S6
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093175
PNG
(CHEMBL311655 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C34H50N12O4/c35-31(36)41-27-11-7-25(8-12-27)23-39-33(49)45-19-15-43(16-20-45)29(47)5-3-1-2-4-6-30(48)44-17-21-46(22-18-44)34(50)40-24-26-9-13-28(14-10-26)42-32(37)38/h7-14H,1-6,15-24H2,(H,39,49)(H,40,50)(H4,35,36,41)(H4,37,38,42)
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0.100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093157
PNG
(CHEMBL431969 | Derivative of piperazine-1-carboxyl...)
Show SMILES NCc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C36H52N8O6/c37-23-27-7-11-29(12-8-27)25-39-33(45)41-15-19-43(20-16-41)35(47)49-31-3-1-4-32(6-2-5-31)50-36(48)44-21-17-42(18-22-44)34(46)40-26-30-13-9-28(24-38)10-14-30/h7-14,31-32H,1-6,15-26,37-38H2,(H,39,45)(H,40,46)/t31-,32+
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0.100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50217306
PNG
(CHEMBL112049)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C36H42N8O6/c37-33(38)23-7-9-27-25(19-23)21-29(49-27)35(47)43-15-11-41(12-16-43)31(45)5-3-1-2-4-6-32(46)42-13-17-44(18-14-42)36(48)30-22-26-20-24(34(39)40)8-10-28(26)50-30/h7-10,19-22H,1-6,11-18H2,(H3,37,38)(H3,39,40)
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0.120n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of tryptase activity


Bioorg Med Chem Lett 9: 3285-90 (2000)


Article DOI: 10.1016/s0960-894x(99)00594-6
BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093192
PNG
(CHEMBL311482 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)Cc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C36H48N8O6/c37-33(38)27-11-7-25(8-12-27)23-31(45)41-15-19-43(20-16-41)35(47)49-29-3-1-4-30(6-2-5-29)50-36(48)44-21-17-42(18-22-44)32(46)24-26-9-13-28(14-10-26)34(39)40/h7-14,29-30H,1-6,15-24H2,(H3,37,38)(H3,39,40)/t29-,30+
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0.200n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093167
PNG
(CHEMBL75750 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OCc2ccc(COC(=O)N3CCN(CC3)C(=O)NCc3ccc(cc3)N=C(N)N)cc2)cc1
Show InChI InChI=1S/C36H46N12O6/c37-31(38)43-29-9-5-25(6-10-29)21-41-33(49)45-13-17-47(18-14-45)35(51)53-23-27-1-2-28(4-3-27)24-54-36(52)48-19-15-46(16-20-48)34(50)42-22-26-7-11-30(12-8-26)44-32(39)40/h1-12H,13-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50101018
PNG
(1,4-di{4-[4-amino(imino)methylphenylcarboxamidomet...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(cc3)C(N)=N)CC2)cc1
Show InChI InChI=1S/C38H46N8O6/c39-33(40)29-5-9-31(10-6-29)35(47)43-21-25-13-17-45(18-14-25)37(49)51-23-27-1-2-28(4-3-27)24-52-38(50)46-19-15-26(16-20-46)22-44-36(48)32-11-7-30(8-12-32)34(41)42/h1-12,25-26H,13-24H2,(H3,39,40)(H3,41,42)(H,43,47)(H,44,48)
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093156
PNG
(CHEMBL432172 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OCC23CCC(COC(=O)N4CCN(CC4)C(=O)NCc4ccc(cc4)N=C(N)N)(CC2)CC3)cc1
Show InChI InChI=1S/C38H54N12O6/c39-31(40)45-29-5-1-27(2-6-29)23-43-33(51)47-15-19-49(20-16-47)35(53)55-25-37-9-12-38(13-10-37,14-11-37)26-56-36(54)50-21-17-48(18-22-50)34(52)44-24-28-3-7-30(8-4-28)46-32(41)42/h1-8H,9-26H2,(H,43,51)(H,44,52)(H4,39,40,45)(H4,41,42,46)
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093154
PNG
(CHEMBL448786 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C38H52N8O6/c39-35(40)29-13-7-27(8-14-29)11-17-33(47)43-19-23-45(24-20-43)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-25-21-44(22-26-46)34(48)18-12-28-9-15-30(16-10-28)36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H3,39,40)(H3,41,42)/t31-,32+
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50101018
PNG
(1,4-di{4-[4-amino(imino)methylphenylcarboxamidomet...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(cc3)C(N)=N)CC2)cc1
Show InChI InChI=1S/C38H46N8O6/c39-33(40)29-5-9-31(10-6-29)35(47)43-21-25-13-17-45(18-14-25)37(49)51-23-27-1-2-28(4-3-27)24-52-38(50)46-19-15-26(16-20-46)22-44-36(48)32-11-7-30(8-12-32)34(41)42/h1-12,25-26H,13-24H2,(H3,39,40)(H3,41,42)(H,43,47)(H,44,48)
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase enzyme


Bioorg Med Chem Lett 11: 2325-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00444-9
BindingDB Entry DOI: 10.7270/Q21835S6
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093199
PNG
(CHEMBL75972 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C35H52N12O4/c36-32(37)42-28-12-8-26(9-13-28)24-40-34(50)46-20-16-44(17-21-46)30(48)6-4-2-1-3-5-7-31(49)45-18-22-47(23-19-45)35(51)41-25-27-10-14-29(15-11-27)43-33(38)39/h8-15H,1-7,16-25H2,(H,40,50)(H,41,51)(H4,36,37,42)(H4,38,39,43)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093173
PNG
(CHEMBL309830 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(N)=Nc1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)Cc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C36H50N10O6/c37-33(38)41-27-11-7-25(8-12-27)23-31(47)43-15-19-45(20-16-43)35(49)51-29-3-1-4-30(6-2-5-29)52-36(50)46-21-17-44(18-22-46)32(48)24-26-9-13-28(14-10-26)42-34(39)40/h7-14,29-30H,1-6,15-24H2,(H4,37,38,41)(H4,39,40,42)/t29-,30+
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093158
PNG
(1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...)
Show SMILES NCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C33H54N10O6/c34-14-2-1-3-15-37-30(44)40-16-20-42(21-17-40)32(46)48-27-6-4-8-28(9-5-7-27)49-33(47)43-22-18-41(19-23-43)31(45)38-24-25-10-12-26(13-11-25)39-29(35)36/h10-13,27-28H,1-9,14-24,34H2,(H,37,44)(H,38,45)(H4,35,36,39)/t27-,28+
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50084616
PNG
(CHEMBL310290 | [(4-Aminomethyl-benzylcarbamoyl)-me...)
Show SMILES NCc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(CN)cc3)cc2)cc1
Show InChI InChI=1S/C30H36N6O6/c31-13-21-1-5-23(6-2-21)15-33-27(37)17-35-29(39)41-19-25-9-11-26(12-10-25)20-42-30(40)36-18-28(38)34-16-24-7-3-22(14-32)4-8-24/h1-12H,13-20,31-32H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
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0.600n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00484-4
BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093178
PNG
(CHEMBL76883 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCCCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C36H54N12O4/c37-33(38)43-29-13-9-27(10-14-29)25-41-35(51)47-21-17-45(18-22-47)31(49)7-5-3-1-2-4-6-8-32(50)46-19-23-48(24-20-46)36(52)42-26-28-11-15-30(16-12-28)44-34(39)40/h9-16H,1-8,17-26H2,(H,41,51)(H,42,52)(H4,37,38,43)(H4,39,40,44)
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0.700n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50101011
PNG
(1,5-di{4-[4-amino(imino)methylphenylcarboxamidomet...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCC(CNC(=O)c2ccc(cc2)C(N)=N)CC1
Show InChI InChI=1S/C38H52N8O6/c39-33(40)27-7-11-29(12-8-27)35(47)43-23-25-15-19-45(20-16-25)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-21-17-26(18-22-46)24-44-36(48)30-13-9-28(10-14-30)34(41)42/h7-14,25-26,31-32H,1-6,15-24H2,(H3,39,40)(H3,41,42)(H,43,47)(H,44,48)/t31-,32+
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0.850n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50101019
PNG
(1-{4-[4-amino(imino)methylbenzylcarbamoyl]hexahydr...)
Show SMILES NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
Show InChI InChI=1S/C35H55N9O6/c36-31(37)28-9-7-27(8-10-28)25-40-33(46)42-19-23-44(24-20-42)35(48)50-30-5-1-3-29(4-2-6-30)49-34(47)43-21-17-41(18-22-43)32(45)39-16-13-26-11-14-38-15-12-26/h7-10,26,29-30,38H,1-6,11-25H2,(H3,36,37)(H,39,45)(H,40,46)/t29-,30+
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0.910n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093176
PNG
(CHEMBL308763 | Derivative of piperazine-1-carboxyl...)
Show SMILES N[C@H]1CC[C@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)CC1
Show InChI InChI=1S/C35H56N10O6/c36-27-11-7-25(8-12-27)23-39-32(46)42-15-19-44(20-16-42)34(48)50-29-3-1-5-30(6-2-4-29)51-35(49)45-21-17-43(18-22-45)33(47)40-24-26-9-13-28(14-10-26)41-31(37)38/h9-10,13-14,25,27,29-30H,1-8,11-12,15-24,36H2,(H,39,46)(H,40,47)(H4,37,38,41)/t25-,27-,29-,30+
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1n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50101016
PNG
(1-{4-[4-amino(imino)methylbenzylcarbamoyl]hexahydr...)
Show SMILES NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCCC2CCNCC2)cc1
Show InChI InChI=1S/C36H56N8O6/c37-33(38)29-12-10-28(11-13-29)26-40-34(46)42-20-24-44(25-21-42)36(48)50-31-7-2-5-30(6-3-8-31)49-35(47)43-22-18-41(19-23-43)32(45)9-1-4-27-14-16-39-17-15-27/h10-13,27,30-31,39H,1-9,14-26H2,(H3,37,38)(H,40,46)/t30-,31+
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1.10n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
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