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Compile Data Set for Download or QSAR

Found 513 hits from Axys Pharmaceuticals, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptase


(Homo sapiens)
BDBM50093142
PNG
(1,5-di{4-[4-amino(imino)methylaminobenzylcarbamoyl...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C36H52N12O6/c37-31(38)43-27-11-7-25(8-12-27)23-41-33(49)45-15-19-47(20-16-45)35(51)53-29-3-1-4-30(6-2-5-29)54-36(52)48-21-17-46(18-22-48)34(50)42-24-26-9-13-28(14-10-26)44-32(39)40/h7-14,29-30H,1-6,15-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)/t29-,30+
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0.0700n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase enzyme


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


Article DOI: 10.1016/s0960-894x(01)00444-9
BindingDB Entry DOI: 10.7270/Q21835S6
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.0780n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Tryptase


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human tryptase enzyme


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.460n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Tryptase


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50101871
PNG
(3-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C25H22BrN3O3/c26-20-12-15(6-9-22(30)31)11-19(24(20)32)23-18(10-14-4-2-1-3-5-14)17-13-16(25(27)28)7-8-21(17)29-23/h1-5,7-8,11-13,29,32H,6,9-10H2,(H3,27,28)(H,30,31)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50101882
PNG
(CHEMBL53829 | Phosphoric acid mono-{2-[3-(3-benzyl...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCOP(O)(O)=O)cc(Br)c1O
Show InChI InChI=1S/C24H23BrN3O5P/c25-20-12-15(8-9-33-34(30,31)32)11-19(23(20)29)22-18(10-14-4-2-1-3-5-14)17-13-16(24(26)27)6-7-21(17)28-22/h1-7,11-13,28-29H,8-10H2,(H3,26,27)(H2,30,31,32)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor X


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Tryptase


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50101881
PNG
(4-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCCC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C26H24BrN3O3/c27-21-13-16(7-4-8-23(31)32)12-20(25(21)33)24-19(11-15-5-2-1-3-6-15)18-14-17(26(28)29)9-10-22(18)30-24/h1-3,5-6,9-10,12-14,30,33H,4,7-8,11H2,(H3,28,29)(H,31,32)
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0.700n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human mast cells


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens)
BDBM50093132
PNG
(CHEMBL75749 | [3-(4-Guanidino-benzyl)-ureido]-acet...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)NCC(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)CNC(=O)NCc2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C30H42N10O6/c31-27(32)39-21-11-7-19(8-12-21)15-35-29(43)37-17-25(41)45-23-3-1-4-24(6-2-5-23)46-26(42)18-38-30(44)36-16-20-9-13-22(14-10-20)40-28(33)34/h7-14,23-24H,1-6,15-18H2,(H4,31,32,39)(H4,33,34,40)(H2,35,37,43)(H2,36,38,44)/t23-,24+
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50101885
PNG
(2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES NC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C24H21BrN4O2/c25-19-10-14(11-21(26)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(27)28)6-7-20(16)29-22/h1-7,9-10,12,29,31H,8,11H2,(H2,26,30)(H3,27,28)
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093197
PNG
(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+
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093186
PNG
(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+
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50101883
PNG
(2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)
Show SMILES CN(C)C(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C26H25BrN4O2/c1-31(2)23(32)13-16-11-20(25(33)21(27)12-16)24-19(10-15-6-4-3-5-7-15)18-14-17(26(28)29)8-9-22(18)30-24/h3-9,11-12,14,30,33H,10,13H2,1-2H3,(H3,28,29)
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2n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093143
PNG
(CHEMBL76733 | N-(4-Aminomethyl-benzyl)-N'-(4-{[3-(...)
Show SMILES NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1
Show InChI InChI=1S/C32H40N6O4/c33-17-23-1-5-25(6-2-23)19-35-29(39)13-15-31(41)37-21-27-9-11-28(12-10-27)22-38-32(42)16-14-30(40)36-20-26-7-3-24(18-34)4-8-26/h1-12H,13-22,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


Article DOI: 10.1016/s0960-894x(00)00484-4
BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50103655
PNG
(CHEMBL72231 | Phosphoric acid mono-{2-[5-(5-carbam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CCO[P+](O)(O)[O-])cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N4O7P/c24-23(25)15-4-5-20-16(10-15)12-21(26-20)19-9-13(6-7-34-35(31,32)33)8-18(22(19)28)14-2-1-3-17(11-14)27(29)30/h1-5,8-12,26,28H,6-7H2,(H3,24,25)(H2,31,32,33)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50101880
PNG
(CHEMBL416127 | [3-(3-Benzyl-5-carbamimidoyl-1H-ind...)
Show SMILES COC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N
Show InChI InChI=1S/C25H22BrN3O3/c1-32-22(30)12-15-10-19(24(31)20(26)11-15)23-18(9-14-5-3-2-4-6-14)17-13-16(25(27)28)7-8-21(17)29-23/h2-8,10-11,13,29,31H,9,12H2,1H3,(H3,27,28)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50101879
PNG
(CHEMBL50924 | [3-(3-Benzyl-5-carbamimidoyl-1H-indo...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CC(O)=O)cc(Br)c1O
Show InChI InChI=1S/C24H20BrN3O3/c25-19-10-14(11-21(29)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(26)27)6-7-20(16)28-22/h1-7,9-10,12,28,31H,8,11H2,(H3,26,27)(H,29,30)
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093198
PNG
(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+
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093164
PNG
(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-
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3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens (human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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3.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Plasmin


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50101870
PNG
(3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo...)
Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)C(O)=O
Show InChI InChI=1S/C23H18BrN3O3/c24-18-11-14(23(29)30)10-17(21(18)28)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27-28H,8H2,(H3,25,26)(H,29,30)
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4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X in human plasma


Bioorg Med Chem Lett 11: 1797-800 (2001)


Article DOI: 10.1016/s0960-894x(01)00311-0
BindingDB Entry DOI: 10.7270/Q20K27TW
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093183
PNG
(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)
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4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093148
PNG
(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+
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4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093161
PNG
(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+
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4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.20n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor II


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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4.70n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Trypsin


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens-Homo sapiens (human))
BDBM50103652
PNG
(5-(5-Carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-nit...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C22H16N4O5/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22(28)29)8-16(20(17)27)11-2-1-3-15(7-11)26(30)31/h1-10,25,27H,(H3,23,24)(H,28,29)
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00420-6
BindingDB Entry DOI: 10.7270/Q2XG9QD9
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50093131
PNG
(CHEMBL80210 | [(4-Aminomethyl-benzylcarbamoyl)-met...)
Show SMILES CN(CC(=O)NCc1ccc(CN)cc1)C(=O)OCc1ccc(COC(=O)N(C)CC(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C32H40N6O6/c1-37(19-29(39)35-17-25-7-3-23(15-33)4-8-25)31(41)43-21-27-11-13-28(14-12-27)22-44-32(42)38(2)20-30(40)36-18-26-9-5-24(16-34)6-10-26/h3-14H,15-22,33-34H2,1-2H3,(H,35,39)(H,36,40)
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093133
PNG
(CHEMBL79822 | N-(4-Aminomethyl-benzyl)-N'-[4-({[3-...)
Show SMILES CN(Cc1ccc(CN(C)C(=O)CCC(=O)NCc2ccc(CN)cc2)cc1)C(=O)CCC(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C34H44N6O4/c1-39(33(43)17-15-31(41)37-21-27-7-3-25(19-35)4-8-27)23-29-11-13-30(14-12-29)24-40(2)34(44)18-16-32(42)38-22-28-9-5-26(20-36)6-10-28/h3-14H,15-24,35-36H2,1-2H3,(H,37,41)(H,38,42)
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


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


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


(Homo sapiens)
BDBM50093168
PNG
(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+
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5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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


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


(Homo sapiens)
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)


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


(Homo sapiens)
BDBM50093182
PNG
(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
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


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


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