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10 similar compounds to monomer 14337

Compile data set for download or QSAR
Wt: 327.3
BDBM14142
Wt: 341.4
BDBM14329
Wt: 391.8
BDBM14351
Wt: 341.4
BDBM50102779
Wt: 327.3
BDBM50102780
Wt: 265.3
BDBM50101884
Wt: 341.4
BDBM50101866
Wt: 279.3
BDBM50101872
Wt: 295.3
BDBM50115855
Wt: 343.3
BDBM50115874

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 14142,14329,14351,50102779,50102780,50101884,50101866,50101872,50115855,50115874   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14351
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2/c1-28-14-9-15(12-5-3-2-4-6-12)21(27)17(10-14)20-8-13-7-16(22(24)25)18(23)11-19(13)26-20/h2-11,26-27H,1H3,(H3,24,25)
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2.60n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8 -10.9n/an/an/an/an/a7.422



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human urokinase type plasminogen activator (microPa)


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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11 -10.7n/an/an/an/an/a7.4522



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14329
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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15 -10.6n/an/an/an/an/a7.622



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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33n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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35n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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35n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human tissue plasminogen activator


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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38n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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72n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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78n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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78n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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78n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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78n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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85n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human plasmin


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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100n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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100n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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110n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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110n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against urokinase-type plasminogen activator (microPa) 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
Trypsin


(Bos taurus (bovine))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin-1


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human trypsin


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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160n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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160n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human coagulation factor VII


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14329
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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180n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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190n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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210n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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250n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human thrombin


J Med Chem 44: 3856-71 (2001)


Article DOI: 10.1021/jm010244+
BindingDB Entry DOI: 10.7270/Q22R3QXR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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320n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14329
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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340n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14329
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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380n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase (uPA) Mutant (S190A)


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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380n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115855
PNG
(2-(3-Ethoxy-2-hydroxy-phenyl)-1H-indole-5-carboxam...)
Show SMILES CCOc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C17H17N3O2/c1-2-22-15-5-3-4-12(16(15)21)14-9-11-8-10(17(18)19)6-7-13(11)20-14/h3-9,20-21H,2H2,1H3,(H3,18,19)
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450n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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640n/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
Plasminogen


(Homo sapiens (Human))
BDBM50115855
PNG
(2-(3-Ethoxy-2-hydroxy-phenyl)-1H-indole-5-carboxam...)
Show SMILES CCOc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C17H17N3O2/c1-2-22-15-5-3-4-12(16(15)21)14-9-11-8-10(17(18)19)6-7-13(11)20-14/h3-9,20-21H,2H2,1H3,(H3,18,19)
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650n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14351
PNG
(2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)
Show SMILES COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2/c1-28-14-9-15(12-5-3-2-4-6-12)21(27)17(10-14)20-8-13-7-16(22(24)25)18(23)11-19(13)26-20/h2-11,26-27H,1H3,(H3,24,25)
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700n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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760n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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1.10E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14329
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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1.10E+3n/an/an/an/an/an/an/an/a



Celera



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


J Mol Biol 329: 93-120 (2003)


Article DOI: 10.1016/s0022-2836(03)00399-1
BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101872
PNG
(2-(2-Hydroxy-3,5-dimethyl-phenyl)-1H-indole-5-carb...)
Show SMILES Cc1cc(C)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C17H17N3O/c1-9-5-10(2)16(21)13(6-9)15-8-12-7-11(17(18)19)3-4-14(12)20-15/h3-8,20-21H,1-2H3,(H3,18,19)
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1.20E+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
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