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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 279.2
BDBM32709
Purchase
Wt: 299.7
BDBM33882
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Wt: 324.3
BDBM33437
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Wt: 218.2
BDBM33453
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Wt: 120.1
BDBM50038002
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Wt: 266.3
BDBM50098556
Wt: 251.2
BDBM50102768
Wt: 291.3
BDBM50420340
Wt: 324.3
BDBM50444602
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Wt: 324.3
BDBM50444603
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Wt: 310.3
BDBM50444604
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Wt: 319.4
BDBM50130869
Wt: 293.3
BDBM50130866
Wt: 322.4
BDBM50189309
Wt: 324.3
BDBM50189305
Displayed 1 to 15 (of 324 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 123 hits in this display   
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
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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31n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of bovine trypsin


J Med Chem 37: 3889-901 (1994)


Article DOI: 10.1021/jm00049a008
BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine trypsin


J Med Chem 43: 3033-44 (2000)


Article DOI: 10.1021/jm000934y
BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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200n/an/an/an/an/an/an/an/a



Protherics Molecular Design

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa)


J Med Chem 45: 1221-32 (2002)


Article DOI: 10.1021/jm010944e
BindingDB Entry DOI: 10.7270/Q2319V5W
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of human thrombin


J Med Chem 37: 3889-901 (1994)


Article DOI: 10.1021/jm00049a008
BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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300n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against human thrombin


J Med Chem 43: 3033-44 (2000)


Article DOI: 10.1021/jm000934y
BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 1877-82 (1999)


Article DOI: 10.1016/s0960-894x(98)00333-3
BindingDB Entry DOI: 10.7270/Q2222SX9
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50420340
PNG
(CHEMBL2089125)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1
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457n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate by fluorimetric analysis


ACS Med Chem Lett 3: 530-534 (2012)


Article DOI: 10.1021/ml3000534
BindingDB Entry DOI: 10.7270/Q2DN469X
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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492n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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513n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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600n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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719n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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800n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens)
BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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1.16E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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1.24E+3n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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1.24E+3n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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1.42E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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1.50E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50130869
PNG
(CHEMBL3632758)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C19H21N5/c20-19(21)13-7-8-15-14(11-13)12-17(22-15)16-5-4-6-18(23-16)24-9-2-1-3-10-24/h4-8,11-12,22H,1-3,9-10H2,(H3,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.40E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 12: 2023-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00312-8
BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.40E+3n/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
Coagulation factor X


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.70E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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2.70E+3n/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
Acrosin


(Sus scrofa)
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
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4.40E+3n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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4.40E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50130866
PNG
(CHEMBL3632755)
Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)
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4.90E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens)
BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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6.23E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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7.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as subs...


J Med Chem 21: 1202-7 (1979)


Article DOI: 10.1021/jm00210a006
BindingDB Entry DOI: 10.7270/Q2ST7RCQ
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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8.00E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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8.00E+3n/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
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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9.40E+3n/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
Matriptase


(Homo sapiens (human))
BDBM50098556
PNG
(4-(2-{4-[amino(imino)methyl]phenyl}ethyl)benzeneca...)
Show SMILES NC(=N)c1ccc(CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H18N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2,(H3,17,18)(H3,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
compound was tested for inhibitory activity against Matriptase


J Med Chem 44: 1349-55 (2001)


Article DOI: 10.1021/jm000395x
BindingDB Entry DOI: 10.7270/Q2057F62
More data for this
Ligand-Target Pair
Glutamate delta 2


(Xenopus)
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



State University of New York

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 740-8 (2003)


Article DOI: 10.1124/jpet.102.045799
BindingDB Entry DOI: 10.7270/Q2N878C5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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1.01E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.20E+4n/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
Plasminogen


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.20E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin by fluorescence based assay using pyroGlu-Phe-Lys-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.30E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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1.30E+4n/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
Prothrombin


(Homo sapiens (Human))
BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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1.58E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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1.84E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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1.84E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine trypsin


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50189309
PNG
(CHEMBL9126)
Show SMILES NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H22N6/c19-17(20)13-1-5-15(6-2-13)23-9-11-24(12-10-23)16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
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2.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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2.00E+4n/an/an/an/an/an/an/an/a



Protherics Molecular Design

Curated by ChEMBL


Assay Description
Inhibitory concentration against bovine trypsin


J Med Chem 45: 1221-32 (2002)


Article DOI: 10.1021/jm010944e
BindingDB Entry DOI: 10.7270/Q2319V5W
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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3.50E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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3.50E+4n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.


Bioorg Med Chem Lett 7: 1283-1288 (1997)


Article DOI: 10.1016/S0960-894X(97)00210-2
BindingDB Entry DOI: 10.7270/Q29W0FZ9
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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3.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant


J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50189305
PNG
(CHEMBL3828410)
Show SMILES NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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5.23E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis


Bioorg Med Chem Lett 26: 3741-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.071
BindingDB Entry DOI: 10.7270/Q29025QN
More data for this
Ligand-Target Pair
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