Compile Data Set for Download or QSAR
Found 198 Enz. Inhib. hit(s) with Target = 'Tryptase beta-2/delta/gamma'
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083552(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)
Affinity DataKi:  0.0190nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083561(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)
Affinity DataKi:  0.0280nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083556(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+
Affinity DataKi:  0.0290nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083541(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)
Affinity DataKi:  0.0460nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083548(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)
Affinity DataKi:  0.0570nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093175(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)
Affinity DataKi:  0.100nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093157(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+
Affinity DataKi:  0.100nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50217306(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)
Affinity DataKi:  0.120nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093192(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+
Affinity DataKi:  0.200nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101018(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)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093167(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)
Affinity DataKi:  0.400nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093156(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)
Affinity DataKi:  0.400nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093154(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+
Affinity DataKi:  0.400nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093173(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+
Affinity DataKi:  0.5nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093158(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+
Affinity DataKi:  0.5nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093199(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)
Affinity DataKi:  0.5nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093178(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)
Affinity DataKi:  0.700nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101011(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+
Affinity DataKi:  0.850nMAssay Description:Inhibition of trypsin in human mast cellsMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101019(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+
Affinity DataKi:  0.910nMAssay Description:Inhibition of trypsin in human mast cellsMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093176(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+
Affinity DataKi:  1nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101016(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+
Affinity DataKi:  1.10nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083549(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccccc1OCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-5-7-27-25(17-23)19-31(53-27)37(49)45-13-9-43(10-14-45)33(47)21-51-29-3-1-2-4-30(29)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)6-8-28(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)
Affinity DataKi:  1.10nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093186(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+
Affinity DataKi:  2nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093197(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+
Affinity DataKi:  2nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093198(CHEMBL311043 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(N)=Nc1ccc(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/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+
Affinity DataKi:  3nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093164(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
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-
Affinity DataKi:  3nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093183(CHEMBL76796 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)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)
Affinity DataKi:  4nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093148(CHEMBL80930 | 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)NCc1ccc(cc1)N=C(N)N
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+
Affinity DataKi:  4nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093161(CHEMBL308630 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(N)=Nc1ccc(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/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+
Affinity DataKi:  4nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093168(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+
Affinity DataKi:  5nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50216213(CHEMBL306744)
Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(C(c1ccccc1)c1ccccc1)c2=O
Show InChI InChI=1S/C37H41N7O6/c1-24-22-30(44-37(50)43(36(49)42(44)23-24)31(26-10-4-2-5-11-26)27-12-6-3-7-13-27)34(47)41-29(14-8-9-20-38)32(45)35(48)40-21-19-25-15-17-28(18-16-25)33(39)46/h2-7,10-13,15-18,22,29-31H,8-9,14,19-21,23,38H2,1H3,(H2,39,46)(H,40,48)(H,41,47)
Affinity DataKi:  5.90nMAssay Description:Compound was evaluated for its binding affinity to the tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101017(1-(4-{2-[4-amino(imino)methylphenyl]acetyl}hexahyd...)
Show SMILES NC(=N)c1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
Show InChI InChI=1S/C35H54N8O6/c36-32(37)28-9-7-27(8-10-28)25-31(44)40-17-21-42(22-18-40)34(46)48-29-3-1-5-30(6-2-4-29)49-35(47)43-23-19-41(20-24-43)33(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)/t29-,30+
Affinity DataKi:  6.70nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093182(CHEMBL77007 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OC[C@H]2C3CCC(C=C3)[C@@H]2COC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)cc1
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
Affinity DataKi:  8nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093187(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+
Affinity DataKi:  8.70nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101022(1-{4-[4-amino(imino)methylphenylcarbamoylmethyl]he...)
Show SMILES NC(=N)c1ccc(NC(=O)CC2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
Show InChI InChI=1S/C36H56N8O6/c37-33(38)28-7-9-29(10-8-28)41-32(45)25-27-14-19-43(20-15-27)35(47)49-30-3-1-5-31(6-2-4-30)50-36(48)44-23-21-42(22-24-44)34(46)40-18-13-26-11-16-39-17-12-26/h7-10,26-27,30-31,39H,1-6,11-25H2,(H3,37,38)(H,40,46)(H,41,45)/t30-,31+
Affinity DataKi:  8.90nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093187(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+
Affinity DataKi:  9nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093196(CHEMBL78283 | Derivative of piperazine-1-carboxyli...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OCC23CC4CC(C2)CC(COC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)(C4)C3)cc1
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)
Affinity DataKi:  10nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093190(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+
Affinity DataKi:  11nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101023(1-{4-[4-amino(imino)methylphenylcarboxamidomethyl]...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C37H57N7O6/c38-34(39)29-10-12-30(13-11-29)35(46)41-26-28-16-20-43(21-17-28)36(47)49-31-5-2-7-32(8-3-6-31)50-37(48)44-24-22-42(23-25-44)33(45)9-1-4-27-14-18-40-19-15-27/h10-13,27-28,31-32,40H,1-9,14-26H2,(H3,38,39)(H,41,46)/t31-,32+
Affinity DataKi:  16nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101015(1-{4-[4-amino(imino)methylphenylcarboxamidomethyl]...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C36H56N8O6/c37-32(38)28-7-9-29(10-8-28)33(45)41-25-27-14-19-43(20-15-27)35(47)49-30-3-1-5-31(6-2-4-30)50-36(48)44-23-21-42(22-24-44)34(46)40-18-13-26-11-16-39-17-12-26/h7-10,26-27,30-31,39H,1-6,11-25H2,(H3,37,38)(H,40,46)(H,41,45)/t30-,31+
Affinity DataKi:  16nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093160(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
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+
Affinity DataKi:  16nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101021(1,4-di[4-(4-aminomethylhexahydro-1-pyridinylcarbox...)
Show SMILES NCC1CCN(CC1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)N3CCC(CN)CC3)CC2)cc1
Show InChI InChI=1S/C36H58N8O6/c37-21-27-5-13-41(14-6-27)33(45)39-23-29-9-17-43(18-10-29)35(47)49-25-31-1-2-32(4-3-31)26-50-36(48)44-19-11-30(12-20-44)24-40-34(46)42-15-7-28(22-38)8-16-42/h1-4,27-30H,5-26,37-38H2,(H,39,45)(H,40,46)
Affinity DataKi:  24nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093184(CHEMBL308074 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2C[C@H]3C[C@H](C[C@H]3C2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)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+
Affinity DataKi:  28nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101024(1-{4-[4-amino(imino)methylphenylsulfonamidomethyl]...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C35H56N8O7S/c36-32(37)28-7-9-31(10-8-28)51(47,48)40-25-27-14-19-42(20-15-27)34(45)49-29-3-1-5-30(6-2-4-29)50-35(46)43-23-21-41(22-24-43)33(44)39-18-13-26-11-16-38-17-12-26/h7-10,26-27,29-30,38,40H,1-6,11-25H2,(H3,36,37)(H,39,44)/t29-,30+
Affinity DataKi:  28nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093191(CHEMBL263557 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCCCCn2ccnc2)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+
Affinity DataKi:  30nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093181(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+
Affinity DataKi:  30nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50101020(1-{4-[4-amino(1-methoxycarbonylimino)methylbenzylc...)
Show SMILES COC(=O)N=C(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/C37H57N9O8/c1-52-35(49)42-32(38)29-10-8-28(9-11-29)26-41-34(48)44-20-24-46(25-21-44)37(51)54-31-6-2-4-30(5-3-7-31)53-36(50)45-22-18-43(19-23-45)33(47)40-17-14-27-12-15-39-16-13-27/h8-11,27,30-31,39H,2-7,12-26H2,1H3,(H,40,47)(H,41,48)(H2,38,42,49)/t30-,31+
Affinity DataKi:  41nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093202(CHEMBL307637 | Derivative of piperazine-1-carboxyl...)
Show SMILES NCCCNC(=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/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+
Affinity DataKi:  44nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50093170(CHEMBL307427 | Derivative of APC-2059)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)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)
Affinity DataKi:  44nMAssay Description:Evaluated for its inhibitory potency against tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50217313(CHEMBL110856)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C29H33N5O6/c30-28(31)20-4-9-24-21(16-20)17-25(40-24)29(37)34-14-12-33(13-15-34)27(36)19-39-23-7-5-22(6-8-23)38-18-26(35)32-10-2-1-3-11-32/h4-9,16-17H,1-3,10-15,18-19H2,(H3,30,31)
Affinity DataKi:  60nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
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