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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 120.1
BDBM50038002
Purchase
Wt: 242.0
BDBM50382109
Wt: 255.2
BDBM50405352
Wt: 245.2
BDBM50436620
Wt: 245.2
BDBM50436591
Wt: 245.2
BDBM50436592
Wt: 231.2
BDBM50436594
Wt: 261.2
BDBM50436618
Purchase
Wt: 226.2
BDBM50010079
Purchase
Wt: 260.7
BDBM50010082
Wt: 241.2
BDBM50010085
Wt: 251.2
BDBM50010086
Wt: 268.3
BDBM50010104
Purchase
Wt: 256.2
BDBM50010084
Wt: 268.3
BDBM50010105
Purchase
Displayed 1 to 15 (of 240 total )  |  Next  |  Last  >>

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

Found 48 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
Acrosin


(Sus scrofa)
BDBM50010104
PNG
(CHEMBL2418010)
Show SMILES NC(=N)c1ccc(COc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
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290n/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
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
Acrosin


(Sus scrofa)
BDBM50010105
PNG
(CHEMBL2418051)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
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480n/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
Acrosin


(Sus scrofa)
BDBM50010082
PNG
(CHEMBL2418045)
Show SMILES NC(=N)c1ccc(COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H3,16,17)
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950n/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
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
Acrosin


(Sus scrofa)
BDBM50010084
PNG
(CHEMBL2418047)
Show SMILES COc1ccc(OCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N2O2/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
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1.60E+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
Acrosin


(Sus scrofa)
BDBM50010085
PNG
(CHEMBL2418048)
Show SMILES NC(=N)c1ccc(COc2ccc(N)cc2)cc1
Show InChI InChI=1S/C14H15N3O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9,15H2,(H3,16,17)
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2.30E+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
Acrosin


(Sus scrofa)
BDBM50010079
PNG
(CHEMBL2418043)
Show SMILES NC(=N)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)
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2.60E+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
Acrosin


(Sus scrofa)
BDBM50010086
PNG
(CHEMBL3244440)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C15H13N3O/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H3,17,18)
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3.90E+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
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
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
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
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
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
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)
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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1.60E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X 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
Urokinase-type plasminogen activator


(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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1.80E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator 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
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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2.20E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human Thrombin 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
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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2.58E+5n/an/an/an/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin)


J Med Chem 58: 6960-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00812
BindingDB Entry DOI: 10.7270/Q26M38M6
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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3.50E+5n/an/an/an/an/an/a7.5n/a



TBA

Curated by ChEMBL


Assay Description
Tested for the Inhibition of the catalytic activity of human plasmin 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
Matriptase


(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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4.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy...


Citation and Details

Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ
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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5.00E+5n/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
Complement C1s


(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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6.30E+5n/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
Thrombin


(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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8.90E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin 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
Tissue-type plasminogen activator


(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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9.10E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator 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
3D
3D Structure (docked)
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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1.30E+6n/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
Acrosin


(Homo sapiens)
BDBM50405352
PNG
(CHEMBL149324)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H4,15,16,17)
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human acrosin and control activity being 11.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50405352
PNG
(CHEMBL149324)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H4,15,16,17)
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n/an/a 23.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human trypsin and the control activity being 7.3 umol/min/mg


J Med Chem 29: 514-9 (1986)


Article DOI: 10.1021/jm00154a015
BindingDB Entry DOI: 10.7270/Q20C4WZ7
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436591
PNG
(CHEMBL2397954)
Show SMILES CC(O)CNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H15N3O2/c1-9(17)8-14-13(18)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7,9,17H,8H2,1H3,(H,14,18)(H,15,16)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436618
PNG
(CHEMBL2397958)
Show SMILES COc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCO
Show InChI InChI=1S/C13H15N3O3/c1-19-10-4-2-9(3-5-10)11-8-12(16-15-11)13(18)14-6-7-17/h2-5,8,17H,6-7H2,1H3,(H,14,18)(H,15,16)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Coagulation factor XI


(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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n/an/a 1.20E+5n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories, LLC

Curated by ChEMBL


Assay Description
Inhibition of f11a


Bioorg Med Chem Lett 16: 5022-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 3.90E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 3.90E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 2802-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.118
BindingDB Entry DOI: 10.7270/Q2J38V4S
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436592
PNG
(CHEMBL2397953)
Show SMILES OCCCNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H15N3O2/c17-8-4-7-14-13(18)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2,(H,14,18)(H,15,16)
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n/an/a 5.40E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 1.70E+6n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of acrosin in human spermatozoa assessed as effect on amidase activity after 3 hrs incubation by spectrophotometry


Bioorg Med Chem Lett 22: 3554-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.042
BindingDB Entry DOI: 10.7270/Q2HT2QBG
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436594
PNG
(CHEMBL2397951)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H13N3O2/c16-7-6-13-12(17)11-8-10(14-15-11)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,13,17)(H,14,15)
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n/an/a 2.80E+6n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50436620
PNG
(CHEMBL2397956)
Show SMILES CC(CO)NC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H15N3O2/c1-9(8-17)14-13(18)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7,9,17H,8H2,1H3,(H,14,18)(H,15,16)
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n/an/a 3.00E+6n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4177-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.031
BindingDB Entry DOI: 10.7270/Q25Q4XHT
More data for this
Ligand-Target Pair
Acrosin


(Homo sapiens)
BDBM50382109
PNG
(CHEMBL2023319)
Show SMILES Clc1ccc(-c2cc(C=O)no2)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-5H
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n/an/a 3.90E+7n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry


Eur J Med Chem 59: 176-82 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.005
BindingDB Entry DOI: 10.7270/Q23X87ZB
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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n/an/an/a 3.55E+5n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00812
BindingDB Entry DOI: 10.7270/Q26M38M6
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.55E+5n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Binding affinity to thrombin (unknown origin) by displacement titration based isothermal titration colorimetry


J Med Chem 58: 6960-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00812
BindingDB Entry DOI: 10.7270/Q26M38M6
More data for this
Ligand-Target Pair