Found 236 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093157
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093175
(CHEMBL311655 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093192
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093156
(CHEMBL432172 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]C23[#6]-[#6]C([#6]-[#8]-[#6](=O)-[#7]-4-[#6]-[#6]-[#7](-[#6]-[#6]-4)-[#6](=O)-[#7]-[#6]-c4ccc(cc4)\[#7]=[#6](/[#7])-[#7])([#6]-[#6]2)[#6]-[#6]3)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093154
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093167
(CHEMBL75750 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093158
(1-{4-[4-amino(imino)methylaminobenzylcarbamoyl]hex...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] 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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093173
(CHEMBL309830 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093199
(CHEMBL75972 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093178
(CHEMBL76883 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093176
(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 |wU:22.27,18.18,4.4,wD:1.0,(30.03,-3.88,;28.7,-3.11,;28.68,-1.56,;27.35,-.8,;26.02,-1.57,;24.69,-.8,;23.36,-1.57,;22.03,-.79,;22.03,.75,;20.7,-1.56,;20.7,-3.09,;19.37,-3.86,;18.04,-3.09,;18.04,-1.55,;19.37,-.78,;16.69,-3.86,;16.69,-5.4,;15.36,-3.09,;13.95,-3.69,;13.95,-5.23,;12.86,-6.32,;11.32,-6.32,;10.23,-5.23,;10.23,-3.69,;11.32,-2.61,;12.86,-2.61,;8.8,-5.82,;7.47,-6.59,;7.47,-8.13,;6.14,-5.82,;4.81,-6.59,;3.48,-5.82,;3.48,-4.28,;4.79,-3.51,;6.14,-4.28,;2.13,-3.52,;2.13,-1.98,;.8,-4.29,;-.53,-3.53,;-1.86,-4.3,;-3.2,-3.53,;-4.53,-4.32,;-4.53,-5.86,;-3.2,-6.63,;-1.86,-5.86,;-5.87,-6.63,;-7.2,-5.86,;-7.2,-4.32,;-8.53,-6.63,;26.02,-3.11,;27.35,-3.88,)| 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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093186
(CHEMBL76424 | Derivative of piperazine-1-carboxyli...)Show SMILES NC(=N)N1CCC(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCC2CCN(CC2)C(N)=N)CC1 Show InChI InChI=1S/C36H62N10O6/c37-33(38)43-15-11-27(12-16-43)7-9-31(47)41-19-23-45(24-20-41)35(49)51-29-3-1-4-30(6-2-5-29)52-36(50)46-25-21-42(22-26-46)32(48)10-8-28-13-17-44(18-14-28)34(39)40/h27-30H,1-26H2,(H3,37,38)(H3,39,40)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093197
(CHEMBL75679 | Derivative of piperazine-1-carboxyli...)Show SMILES NCCc1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)Cc2ccc(CCN)cc2)cc1 Show InChI InChI=1S/C38H54N6O6/c39-17-15-29-7-11-31(12-8-29)27-35(45)41-19-23-43(24-20-41)37(47)49-33-3-1-4-34(6-2-5-33)50-38(48)44-25-21-42(22-26-44)36(46)28-32-13-9-30(10-14-32)16-18-40/h7-14,33-34H,1-6,15-28,39-40H2/t33-,34+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093198
(CHEMBL311043 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C35H56N10O6/c36-31(37)41-28-9-7-27(8-10-28)25-40-33(47)43-19-23-45(24-20-43)35(49)51-30-5-1-3-29(4-2-6-30)50-34(48)44-21-17-42(18-22-44)32(46)39-16-13-26-11-14-38-15-12-26/h7-10,26,29-30,38H,1-6,11-25H2,(H,39,46)(H,40,47)(H4,36,37,41)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093164
(CHEMBL308632 | Derivative of APC-2059)Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OC[C@H]2CC[C@H](COC(=O)N3CCN(CC3)C(=O)NCc3ccc(cc3)N=C(N)N)CC2)cc1 |wU:25.26,wD:22.22,(-5.9,-4.38,;-5.9,-5.92,;-7.23,-6.69,;-4.57,-6.69,;-3.22,-5.92,;-1.89,-6.69,;-.55,-5.92,;-.55,-4.38,;.78,-3.6,;2.11,-4.35,;3.44,-3.58,;3.44,-2.04,;4.79,-4.35,;6.1,-3.57,;7.45,-4.34,;7.45,-5.89,;6.12,-6.66,;4.79,-5.89,;8.79,-6.66,;8.79,-8.18,;10.12,-5.89,;11.45,-6.66,;12.78,-5.89,;14.12,-6.66,;15.45,-5.89,;15.46,-4.34,;16.79,-3.57,;18.13,-4.34,;19.46,-5.12,;19.46,-6.66,;20.8,-4.34,;22.13,-5.12,;23.46,-4.35,;23.46,-2.81,;22.14,-2.03,;20.8,-2.8,;24.81,-2.04,;24.81,-.5,;26.14,-2.81,;27.48,-2.06,;28.81,-2.83,;28.81,-4.38,;30.14,-5.15,;31.47,-4.38,;31.47,-2.83,;30.14,-2.06,;32.82,-5.15,;34.15,-4.38,;34.15,-2.83,;35.49,-5.15,;14.12,-3.57,;12.78,-4.35,;-1.89,-3.6,;-3.22,-4.38,)| Show InChI InChI=1S/C36H52N12O6/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/h5-12,27-28H,1-4,13-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)/t27-,28- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093148
(CHEMBL80930 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C32H52N10O6/c33-13-1-2-14-36-29(43)39-15-19-41(20-16-39)31(45)47-26-5-3-7-27(8-4-6-26)48-32(46)42-21-17-40(18-22-42)30(44)37-23-24-9-11-25(12-10-24)38-28(34)35/h9-12,26-27H,1-8,13-23,33H2,(H,36,43)(H,37,44)(H4,34,35,38)/t26-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093161
(CHEMBL308630 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C36H57N9O6/c37-33(38)41-29-12-10-28(11-13-29)26-40-34(47)43-20-24-45(25-21-43)36(49)51-31-7-2-5-30(6-3-8-31)50-35(48)44-22-18-42(19-23-44)32(46)9-1-4-27-14-16-39-17-15-27/h10-13,27,30-31,39H,1-9,14-26H2,(H,40,47)(H4,37,38,41)/t30-,31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093183
(CHEMBL76796 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C33H48N12O4/c34-30(35)40-26-10-6-24(7-11-26)22-38-32(48)44-18-14-42(15-19-44)28(46)4-2-1-3-5-29(47)43-16-20-45(21-17-43)33(49)39-23-25-8-12-27(13-9-25)41-31(36)37/h6-13H,1-5,14-23H2,(H,38,48)(H,39,49)(H4,34,35,40)(H4,36,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093168
(CHEMBL75635 | Derivative of piperazine-1-carboxyli...)Show SMILES NC(=N)N1CCC(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CC2CCN(CC2)C(N)=N)CC1 Show InChI InChI=1S/C34H58N10O6/c35-31(36)41-11-7-25(8-12-41)23-29(45)39-15-19-43(20-16-39)33(47)49-27-3-1-4-28(6-2-5-27)50-34(48)44-21-17-40(18-22-44)30(46)24-26-9-13-42(14-10-26)32(37)38/h25-28H,1-24H2,(H3,35,36)(H3,37,38)/t27-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093182
(CHEMBL77007 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-[#6@H]-2-[#6]-3-[#6]-[#6]-[#6](-[#6]=[#6]-3)-[#6@@H]-2-[#6]-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 |c:28,TLB:21:22:27.28:24.25,THB:30:29:27.28:24.25| Show InChI InChI=1S/C38H52N12O6/c39-33(40)45-29-9-1-25(2-10-29)21-43-35(51)47-13-17-49(18-14-47)37(53)55-23-31-27-5-7-28(8-6-27)32(31)24-56-38(54)50-19-15-48(16-20-50)36(52)44-22-26-3-11-30(12-4-26)46-34(41)42/h1-5,7,9-12,27-28,31-32H,6,8,13-24H2,(H,43,51)(H,44,52)(H4,39,40,45)(H4,41,42,46)/t27?,28?,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093187
(1,5-di{4-[4-amino(imino)methylbenzylcarbamoyl]hexa...)Show SMILES NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C36H50N10O6/c37-31(38)27-11-7-25(8-12-27)23-41-33(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)34(48)42-24-26-9-13-28(14-10-26)32(39)40/h7-14,29-30H,1-6,15-24H2,(H3,37,38)(H3,39,40)(H,41,47)(H,42,48)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093196
(CHEMBL78283 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]C23[#6]-[#6]-4-[#6]-[#6](-[#6]2)-[#6]C([#6]-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])([#6]-4)[#6]3)cc1 |TLB:27:22:54:26.28.25,21:22:28:24.54.25,THB:23:22:28:24.54.25,23:24:28:22.55.27,27:26:22.55.23:54| Show InChI InChI=1S/C40H56N12O6/c41-33(42)47-31-5-1-27(2-6-31)22-45-35(53)49-9-13-51(14-10-49)37(55)57-25-39-18-29-17-30(19-39)21-40(20-29,24-39)26-58-38(56)52-15-11-50(12-16-52)36(54)46-23-28-3-7-32(8-4-28)48-34(43)44/h1-8,29-30H,9-26H2,(H,45,53)(H,46,54)(H4,41,42,47)(H4,43,44,48) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093190
(CHEMBL308764 | Derivative of piperazine-1-carboxyl...)Show SMILES NCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCCN Show InChI InChI=1S/C30H56N8O6/c31-13-3-1-5-15-33-27(39)35-17-21-37(22-18-35)29(41)43-25-9-7-11-26(12-8-10-25)44-30(42)38-23-19-36(20-24-38)28(40)34-16-6-2-4-14-32/h25-26H,1-24,31-32H2,(H,33,39)(H,34,40)/t25-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093160
(CHEMBL263454 | Derivative of piperazine-1-carboxyl...)Show SMILES NC[C@H]1CC[C@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NC[C@H]2CC[C@H](CN)CC2)CC1 |wU:23.28,19.19,40.42,5.5,wD:43.46,2.1,(30.08,-2.68,;28.89,-1.71,;27.39,-2.2,;26.22,-1.23,;24.74,-1.73,;24.44,-3.17,;22.96,-3.65,;21.77,-2.7,;20.54,-1.8,;20.74,-.33,;19.09,-2.35,;18.88,-3.82,;17.43,-4.38,;16.18,-3.48,;16.38,-2.01,;17.83,-1.45,;14.73,-4.04,;14.53,-5.5,;13.5,-3.14,;12.06,-3.7,;12.06,-5.17,;10.94,-6.22,;9.37,-6.22,;8.26,-5.17,;8.26,-3.7,;9.37,-2.65,;10.94,-2.65,;6.81,-5.74,;5.57,-4.85,;5.77,-3.38,;4.13,-5.4,;3.93,-6.86,;2.47,-7.44,;1.23,-6.52,;1.45,-5.07,;2.88,-4.5,;-.22,-7.09,;-.42,-8.54,;-1.46,-6.17,;-2.69,-5.25,;-4.13,-5.79,;-4.37,-7.24,;-5.82,-7.8,;-7.06,-6.87,;-8.5,-7.42,;-9.73,-6.5,;-6.83,-5.4,;-5.37,-4.87,;25.63,-4.15,;27.11,-3.65,)| Show InChI InChI=1S/C36H64N8O6/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/h27-32H,1-26,37-38H2,(H,39,45)(H,40,46)/t27-,28-,29-,30-,31-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093184
(CHEMBL308074 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6@H]-3-[#6]-[#6@H](-[#6]-[#6@H]-3-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C36H50N12O6/c37-31(38)43-27-5-1-23(2-6-27)21-41-33(49)45-9-13-47(14-10-45)35(51)53-29-17-25-19-30(20-26(25)18-29)54-36(52)48-15-11-46(12-16-48)34(50)42-22-24-3-7-28(8-4-24)44-32(39)40/h1-8,25-26,29-30H,9-22H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)/t25-,26+,29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093181
(CHEMBL77043 | Derivative of piperazine-1-carboxyli...)Show SMILES NC(=N)N1CCC(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCN(CC2)C(N)=N)CC1 Show InChI InChI=1S/C36H64N12O6/c37-31(38)43-15-9-27(10-16-43)7-13-41-33(49)45-19-23-47(24-20-45)35(51)53-29-3-1-4-30(6-2-5-29)54-36(52)48-25-21-46(22-26-48)34(50)42-14-8-28-11-17-44(18-12-28)32(39)40/h27-30H,1-26H2,(H3,37,38)(H3,39,40)(H,41,49)(H,42,50)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093191
(CHEMBL263557 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-n2ccnc2)cc1 Show InChI InChI=1S/C36H54N10O6/c37-33(38)41-29-13-11-28(12-14-29)26-40-34(48)44-20-24-46(25-21-44)36(50)52-31-8-4-6-30(7-5-9-31)51-35(49)45-22-18-43(19-23-45)32(47)10-2-1-3-16-42-17-15-39-27-42/h11-15,17,27,30-31H,1-10,16,18-26H2,(H,40,48)(H4,37,38,41)/t30-,31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093202
(CHEMBL307637 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C31H50N10O6/c32-12-3-13-35-28(42)38-14-18-40(19-15-38)30(44)46-25-4-1-6-26(7-2-5-25)47-31(45)41-20-16-39(17-21-41)29(43)36-22-23-8-10-24(11-9-23)37-27(33)34/h8-11,25-26H,1-7,12-22,32H2,(H,35,42)(H,36,43)(H4,33,34,37)/t25-,26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093170
(CHEMBL307427 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C32H46N12O4/c33-29(34)39-25-9-5-23(6-10-25)21-37-31(47)43-17-13-41(14-18-43)27(45)3-1-2-4-28(46)42-15-19-44(20-16-42)32(48)38-22-24-7-11-26(12-8-24)40-30(35)36/h5-12H,1-4,13-22H2,(H,37,47)(H,38,48)(H4,33,34,39)(H4,35,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093188
(CHEMBL78173 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C34H54N10O6/c35-30(36)40-27-9-7-25(8-10-27)23-38-31(45)41-15-19-43(20-16-41)33(47)49-28-3-1-5-29(6-2-4-28)50-34(48)44-21-17-42(18-22-44)32(46)39-24-26-11-13-37-14-12-26/h7-10,26,28-29,37H,1-6,11-24H2,(H,38,45)(H,39,46)(H4,35,36,40)/t28-,29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093193
(CHEMBL77182 | Derivative of piperazine-1-carboxyli...)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 |wU:22.27,1.0,18.18,4.4,(30.03,-3.88,;28.7,-3.11,;27.35,-3.88,;26.02,-3.11,;26.02,-1.57,;24.69,-.8,;23.36,-1.57,;22.03,-.79,;22.03,.75,;20.7,-1.56,;20.7,-3.09,;19.37,-3.86,;18.04,-3.09,;18.04,-1.55,;19.37,-.78,;16.69,-3.86,;16.69,-5.4,;15.36,-3.09,;13.95,-3.69,;13.95,-5.23,;12.86,-6.32,;11.32,-6.32,;10.23,-5.23,;10.23,-3.69,;11.32,-2.61,;12.86,-2.61,;8.8,-5.82,;7.47,-6.59,;7.47,-8.13,;6.14,-5.82,;4.81,-6.59,;3.48,-5.82,;3.48,-4.28,;4.79,-3.51,;6.14,-4.28,;2.13,-3.52,;2.13,-1.98,;.8,-4.29,;-.53,-3.53,;-1.86,-4.3,;-3.2,-3.53,;-4.53,-4.32,;-4.53,-5.86,;-3.2,-6.63,;-1.86,-5.86,;-5.87,-6.63,;-7.2,-5.86,;-7.2,-4.32,;-8.53,-6.63,;27.35,-.8,;28.68,-1.56,)| 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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093163
(CHEMBL306258 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#16]-c2ccncc2)cc1 Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093169
(CHEMBL312463 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#7]-c2ccncc2)cc1 Show InChI InChI=1S/C35H50N10O6/c36-32(37)41-28-9-7-26(8-10-28)25-40-33(47)43-19-23-45(24-20-43)35(49)51-30-5-1-3-29(4-2-6-30)50-34(48)44-21-17-42(18-22-44)31(46)13-16-39-27-11-14-38-15-12-27/h7-12,14-15,29-30H,1-6,13,16-25H2,(H,38,39)(H,40,47)(H4,36,37,41)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093171
(CHEMBL75624 | Derivative of piperazine-1-carboxyli...)Show SMILES O=C(CCCC1CCNCC1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C36H62N6O6/c43-33(11-1-5-29-13-17-37-18-14-29)39-21-25-41(26-22-39)35(45)47-31-7-3-9-32(10-4-8-31)48-36(46)42-27-23-40(24-28-42)34(44)12-2-6-30-15-19-38-20-16-30/h29-32,37-38H,1-28H2/t31-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093151
(CHEMBL307374 | Derivative of piperazine-1-carboxyl...)Show SMILES O=C(NCCC1CCNCC1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C34H60N8O6/c43-31(37-17-11-27-7-13-35-14-8-27)39-19-23-41(24-20-39)33(45)47-29-3-1-4-30(6-2-5-29)48-34(46)42-25-21-40(22-26-42)32(44)38-18-12-28-9-15-36-16-10-28/h27-30,35-36H,1-26H2,(H,37,43)(H,38,44)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093177
(CHEMBL310412 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-c2ccc(-[#7])nc2)cc1 Show InChI InChI=1S/C35H50N10O6/c36-30-13-9-26(23-39-30)10-14-31(46)42-15-19-44(20-16-42)34(48)50-28-3-1-5-29(6-2-4-28)51-35(49)45-21-17-43(18-22-45)33(47)40-24-25-7-11-27(12-8-25)41-32(37)38/h7-9,11-13,23,28-29H,1-6,10,14-22,24H2,(H2,36,39)(H,40,47)(H4,37,38,41)/t28-,29+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093166
(CHEMBL306622 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C38H54N10O6/c39-35(40)43-29-13-7-27(8-14-29)11-17-33(49)45-19-23-47(24-20-45)37(51)53-31-3-1-4-32(6-2-5-31)54-38(52)48-25-21-46(22-26-48)34(50)18-12-28-9-15-30(16-10-28)44-36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H4,39,40,43)(H4,41,42,44)/t31-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093194
(CHEMBL77998 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C36H58N10O6/c37-32(38)42-29-11-9-28(10-12-29)26-41-34(48)44-20-24-46(25-21-44)36(50)52-31-7-1-5-30(6-2-8-31)51-35(49)45-22-18-43(19-23-45)33(47)40-15-3-4-27-13-16-39-17-14-27/h9-12,27,30-31,39H,1-8,13-26H2,(H,40,47)(H,41,48)(H4,37,38,42)/t30-,31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093180
(CHEMBL312023 | Derivative of piperazine-1-carboxyl...)Show SMILES NCC12CCC(CNC(=O)N3CCN(CC3)C(=O)O[C@H]3CCC[C@H](CCC3)OC(=O)N3CCN(CC3)C(=O)NCC34CCC(CN)(CC3)CC4)(CC1)CC2 Show InChI InChI=1S/C40H68N8O6/c41-27-37-7-13-39(14-8-37,15-9-37)29-43-33(49)45-19-23-47(24-20-45)35(51)53-31-3-1-4-32(6-2-5-31)54-36(52)48-25-21-46(22-26-48)34(50)44-30-40-16-10-38(28-42,11-17-40)12-18-40/h31-32H,1-30,41-42H2,(H,43,49)(H,44,50)/t31-,32+,37?,38?,39?,40? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093185
(CHEMBL310760 | Derivative of piperazine-1-carboxyl...)Show SMILES NC(=N)c1ccc(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C38H54N10O6/c39-33(40)29-11-7-27(8-12-29)15-17-43-35(49)45-19-23-47(24-20-45)37(51)53-31-3-1-4-32(6-2-5-31)54-38(52)48-25-21-46(22-26-48)36(50)44-18-16-28-9-13-30(14-10-28)34(41)42/h7-14,31-32H,1-6,15-26H2,(H3,39,40)(H3,41,42)(H,43,49)(H,44,50)/t31-,32+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093159
(CHEMBL77183 | Derivative of piperazine-1-carboxyli...)Show SMILES NCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCN Show InChI InChI=1S/C28H52N8O6/c29-11-1-3-13-31-25(37)33-15-19-35(20-16-33)27(39)41-23-7-5-9-24(10-6-8-23)42-28(40)36-21-17-34(18-22-36)26(38)32-14-4-2-12-30/h23-24H,1-22,29-30H2,(H,31,37)(H,32,38)/t23-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093162
(CHEMBL77949 | Derivative of piperazine-1-carboxyli...)Show SMILES NC(=N)N1CCC(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCC2CCN(CC2)C(N)=N)CC1 Show InChI InChI=1S/C34H60N12O6/c35-29(36)41-11-7-25(8-12-41)23-39-31(47)43-15-19-45(20-16-43)33(49)51-27-3-1-4-28(6-2-5-27)52-34(50)46-21-17-44(18-22-46)32(48)40-24-26-9-13-42(14-10-26)30(37)38/h25-28H,1-24H2,(H3,35,36)(H3,37,38)(H,39,47)(H,40,48)/t27-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093200
(CHEMBL406737 | Derivative of piperazine-1-carboxyl...)Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C36H58N10O6/c1-42(17-14-27-12-15-39-16-13-27)34(48)44-20-24-46(25-21-44)36(50)52-31-6-2-4-30(5-3-7-31)51-35(49)45-22-18-43(19-23-45)33(47)40-26-28-8-10-29(11-9-28)41-32(37)38/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H4,37,38,41)/t30-,31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093152
(CHEMBL80878 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(-[#7])cc2)cc1 Show InChI InChI=1S/C35H50N10O6/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/h7-14,29-30H,1-6,15-24,36H2,(H,39,46)(H,40,47)(H4,37,38,41)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093172
(CHEMBL263244 | Derivative of piperazine-1-carboxyl...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccncc2)cc1 Show InChI InChI=1S/C35H50N10O6/c36-31(37)41-28-9-7-27(8-10-28)25-40-33(47)43-19-23-45(24-20-43)35(49)51-30-5-1-3-29(4-2-6-30)50-34(48)44-21-17-42(18-22-44)32(46)39-16-13-26-11-14-38-15-12-26/h7-12,14-15,29-30H,1-6,13,16-25H2,(H,39,46)(H,40,47)(H4,36,37,41)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093195
(CHEMBL80502 | Derivative of piperazine-1-carboxyli...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-n2ccnc2)cc1 Show InChI InChI=1S/C35H52N10O6/c36-32(37)40-28-12-10-27(11-13-28)25-39-33(47)43-19-23-45(24-20-43)35(49)51-30-7-3-5-29(6-4-8-30)50-34(48)44-21-17-42(18-22-44)31(46)9-1-2-15-41-16-14-38-26-41/h10-14,16,26,29-30H,1-9,15,17-25H2,(H,39,47)(H4,36,37,40)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093179
(CHEMBL307597 | Derivative of piperazine-1-carboxyl...)Show SMILES NCCc1ccc(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCc2ccc(CCN)cc2)cc1 Show InChI InChI=1S/C40H60N8O6/c41-19-15-31-7-11-33(12-8-31)17-21-43-37(49)45-23-27-47(28-24-45)39(51)53-35-3-1-4-36(6-2-5-35)54-40(52)48-29-25-46(26-30-48)38(50)44-22-18-34-13-9-32(10-14-34)16-20-42/h7-14,35-36H,1-6,15-30,41-42H2,(H,43,49)(H,44,50)/t35-,36+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093203
(CHEMBL307927 | Derivative of piperazine-1-carboxyl...)Show SMILES NCCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCCCN Show InChI InChI=1S/C32H60N8O6/c33-15-5-1-3-7-17-35-29(41)37-19-23-39(24-20-37)31(43)45-27-11-9-13-28(14-10-12-27)46-32(44)40-25-21-38(22-26-40)30(42)36-18-8-4-2-6-16-34/h27-28H,1-26,33-34H2,(H,35,41)(H,36,42)/t27-,28+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50093149
(CHEMBL77361 | Derivative of piperazine-1-carboxyli...)Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-1 Show InChI InChI=1S/C36H58N10O6/c1-42-16-13-27(14-17-42)12-15-39-33(47)43-18-22-45(23-19-43)35(49)51-30-4-2-6-31(7-3-5-30)52-36(50)46-24-20-44(21-25-46)34(48)40-26-28-8-10-29(11-9-28)41-32(37)38/h8-11,27,30-31H,2-7,12-26H2,1H3,(H,39,47)(H,40,48)(H4,37,38,41)/t30-,31+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its inhibitory potency against tryptase |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50093156
(CHEMBL432172 | Derivative of APC-2059)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]C23[#6]-[#6]C([#6]-[#8]-[#6](=O)-[#7]-4-[#6]-[#6]-[#7](-[#6]-[#6]-4)-[#6](=O)-[#7]-[#6]-c4ccc(cc4)\[#7]=[#6](/[#7])-[#7])([#6]-[#6]2)[#6]-[#6]3)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory potency against plasmin |
Bioorg Med Chem Lett 10: 2361-6 (2001)
BindingDB Entry DOI: 10.7270/Q2HX1BWR |
More data for this
Ligand-Target Pair | |
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