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PubMed code 11425524

Compile data set for download or QSAR
Found 62 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50218667
PNG
(APC-1390 | CHEMBL46809)
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(NC(N)=N)cc2)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
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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50218668
PNG
(CHEMBL42900)
Show SMILES NCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccc(NC(N)=N)cc1
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
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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		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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 6n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101017
PNG
(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+
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 6.70n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50093187
PNG
(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+
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 8.70n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101022
PNG
(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+
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 8.90n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101015
PNG
(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+
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 16n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101023
PNG
(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+
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 16n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101021
PNG
(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)
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 24n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101024
PNG
(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+
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 28n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101020
PNG
(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 |w:4.3|
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+
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 41n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101013
PNG
(CHEMBL406192 | {[2-(1-Carbamimidoyl-piperidin-4-yl...)
Show SMILES NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C30H48N10O6/c31-27(32)39-13-7-21(8-14-39)5-11-35-25(41)17-37-29(43)45-19-23-1-2-24(4-3-23)20-46-30(44)38-18-26(42)36-12-6-22-9-15-40(16-10-22)28(33)34/h1-4,21-22H,5-20H2,(H3,31,32)(H3,33,34)(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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 110n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101012
PNG
(CHEMBL289918 | {4-[(4-Aminomethyl-piperidine-1-car...)
Show SMILES NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1S/C32H54N8O6/c33-21-25-9-17-39(18-10-25)29(41)35-13-1-3-15-37-31(43)45-23-27-5-7-28(8-6-27)24-46-32(44)38-16-4-2-14-36-30(42)40-19-11-26(22-34)12-20-40/h5-8,25-26H,1-4,9-24,33-34H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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 112n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101014
PNG
(CHEMBL297408 | {[(1-Carbamimidoyl-piperidin-4-ylme...)
Show SMILES NC(=N)N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C28H44N10O6/c29-25(30)37-9-5-19(6-10-37)13-33-23(39)15-35-27(41)43-17-21-1-2-22(4-3-21)18-44-28(42)36-16-24(40)34-14-20-7-11-38(12-8-20)26(31)32/h1-4,19-20H,5-18H2,(H3,29,30)(H3,31,32)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
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 155n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		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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 4.40E+3n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		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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 4.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101024
PNG
(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+
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 1.68E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		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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 2.08E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101022
PNG
(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+
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 2.11E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50093187
PNG
(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+
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 2.50E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101023
PNG
(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+
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 3.19E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101023
PNG
(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+
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 3.74E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101015
PNG
(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+
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 3.88E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101015
PNG
(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+
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 4.12E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		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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 4.22E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		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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 4.72E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		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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 5.21E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101022
PNG
(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+
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 5.29E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093187
PNG
(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+
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 5.95E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		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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 6.22E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101017
PNG
(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+
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 6.31E+4n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101017
PNG
(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+
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 9.44E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		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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 1.02E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		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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 1.11E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50093187
PNG
(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+
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 1.34E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101015
PNG
(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+
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 2.79E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		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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 2.87E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101022
PNG
(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+
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 2.93E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		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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 3.10E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101023
PNG
(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+
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 3.20E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101014
PNG
(CHEMBL297408 | {[(1-Carbamimidoyl-piperidin-4-ylme...)
Show SMILES NC(=N)N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C28H44N10O6/c29-25(30)37-9-5-19(6-10-37)13-33-23(39)15-35-27(41)43-17-21-1-2-22(4-3-21)18-44-28(42)36-16-24(40)34-14-20-7-11-38(12-8-20)26(31)32/h1-4,19-20H,5-18H2,(H3,29,30)(H3,31,32)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
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 3.86E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101013
PNG
(CHEMBL406192 | {[2-(1-Carbamimidoyl-piperidin-4-yl...)
Show SMILES NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C30H48N10O6/c31-27(32)39-13-7-21(8-14-39)5-11-35-25(41)17-37-29(43)45-19-23-1-2-24(4-3-23)20-46-30(44)38-18-26(42)36-12-6-22-9-15-40(16-10-22)28(33)34/h1-4,21-22H,5-20H2,(H3,31,32)(H3,33,34)(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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 4.23E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101014
PNG
(CHEMBL297408 | {[(1-Carbamimidoyl-piperidin-4-ylme...)
Show SMILES NC(=N)N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C28H44N10O6/c29-25(30)37-9-5-19(6-10-37)13-33-23(39)15-35-27(41)43-17-21-1-2-22(4-3-21)18-44-28(42)36-16-24(40)34-14-20-7-11-38(12-8-20)26(31)32/h1-4,19-20H,5-18H2,(H3,29,30)(H3,31,32)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
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 4.66E+5n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101021
PNG
(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)
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 5.15E+5n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101020
PNG
(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 |w:4.3|
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+
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 5.54E+5n/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)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101020
PNG
(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 |w:4.3|
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+
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 5.61E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101012
PNG
(CHEMBL289918 | {4-[(4-Aminomethyl-piperidine-1-car...)
Show SMILES NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1S/C32H54N8O6/c33-21-25-9-17-39(18-10-25)29(41)35-13-1-3-15-37-31(43)45-23-27-5-7-28(8-6-27)24-46-32(44)38-16-4-2-14-36-30(42)40-19-11-26(22-34)12-20-40/h5-8,25-26H,1-4,9-24,33-34H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CETP mediated transfer of [3H]-cholesteryl ester from HDL to LDL

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101020
PNG
(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 |w:4.3|
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+
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101012
PNG
(CHEMBL289918 | {4-[(4-Aminomethyl-piperidine-1-car...)
Show SMILES NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1S/C32H54N8O6/c33-21-25-9-17-39(18-10-25)29(41)35-13-1-3-15-37-31(43)45-23-27-5-7-28(8-6-27)24-46-32(44)38-16-4-2-14-36-30(42)40-19-11-26(22-34)12-20-40/h5-8,25-26H,1-4,9-24,33-34H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101017
PNG
(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+
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101014
PNG
(CHEMBL297408 | {[(1-Carbamimidoyl-piperidin-4-ylme...)
Show SMILES NC(=N)N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C28H44N10O6/c29-25(30)37-9-5-19(6-10-37)13-33-23(39)15-35-27(41)43-17-21-1-2-22(4-3-21)18-44-28(42)36-16-24(40)34-14-20-7-11-38(12-8-20)26(31)32/h1-4,19-20H,5-18H2,(H3,29,30)(H3,31,32)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101024
PNG
(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+
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101021
PNG
(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)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50101024
PNG
(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+
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101013
PNG
(CHEMBL406192 | {[2-(1-Carbamimidoyl-piperidin-4-yl...)
Show SMILES NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C30H48N10O6/c31-27(32)39-13-7-21(8-14-39)5-11-35-25(41)17-37-29(43)45-19-23-1-2-24(4-3-23)20-46-30(44)38-18-26(42)36-12-6-22-9-15-40(16-10-22)28(33)34/h1-4,21-22H,5-20H2,(H3,31,32)(H3,33,34)(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101012
PNG
(CHEMBL289918 | {4-[(4-Aminomethyl-piperidine-1-car...)
Show SMILES NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1S/C32H54N8O6/c33-21-25-9-17-39(18-10-25)29(41)35-13-1-3-15-37-31(43)45-23-27-5-7-28(8-6-27)24-46-32(44)38-16-4-2-14-36-30(42)40-19-11-26(22-34)12-20-40/h5-8,25-26H,1-4,9-24,33-34H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50101021
PNG
(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)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition plasmin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50101013
PNG
(CHEMBL406192 | {[2-(1-Carbamimidoyl-piperidin-4-yl...)
Show SMILES NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(CC3)C(N)=N)cc2)CC1
Show InChI InChI=1S/C30H48N10O6/c31-27(32)39-13-7-21(8-14-39)5-11-35-25(41)17-37-29(43)45-19-23-1-2-24(4-3-23)20-46-30(44)38-18-26(42)36-12-6-22-9-15-40(16-10-22)28(33)34/h1-4,21-22H,5-20H2,(H3,31,32)(H3,33,34)(H,35,41)(H,36,42)(H,37,43)(H,38,44)
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Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells

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


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%