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5 similar compounds to monomer 772

Compile data set for download or QSAR
Wt: 135.1
BDBM773
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Wt: 120.1
BDBM50038002
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Wt: 148.2
BDBM50010256
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Wt: 134.1
BDBM50010245
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Wt: 386.4
BDBM50153441
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 773,50038002,50010256,50010245,50153441   
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
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
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 Inc

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
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
Thrombin and 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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300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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
Thrombin and 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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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
Thrombin and 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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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
Thrombin and 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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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)
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
Complement C1s


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


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-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
Complement C1s


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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7.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


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
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50010245
PNG
(CHEMBL3247182)
Show SMILES Cc1ccccc1C(N)=N
Show InChI InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


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
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
Thrombin and 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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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
Coagulation factor III/Factor VIIa (fVIIa)


(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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2.40E+5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...


J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50010256
PNG
(CHEMBL3247192)
Show SMILES Cc1cc(C)cc(c1)C(N)=N
Show InChI InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol produc...


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 and 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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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))
BDBM50010245
PNG
(CHEMBL3247182)
Show SMILES Cc1ccccc1C(N)=N
Show InChI InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
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3.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


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
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



Aurigene Discovery Technologies Limited

Curated by ChEMBL


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...


ACS Med Chem Lett 4: 1152-7 (2013)


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)
Thrombin and 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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PubMed
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
Complement C1s


(Homo sapiens (Human))
BDBM50010245
PNG
(CHEMBL3247182)
Show SMILES Cc1ccccc1C(N)=N
Show InChI InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
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1.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate ...


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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 560n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
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
Thrombin and 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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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
Trypsin II


(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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n/an/an/a 1.48E+7n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
log Kd (Binding affinity against specified protein) value of the compound


J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair
Thrombin & trypsin


(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 1.82E+4n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


J Med Chem 45: 2770-80 (2002)


Article DOI: 10.1021/jm0105833
BindingDB Entry DOI: 10.7270/Q2MG7S8S
More data for this
Ligand-Target Pair
Thrombin and 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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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
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 8.84E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 14n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Kallikrein 5


(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 5.01E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using rhodamine-labelled tripeptide as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 773,50038002,50010256,50010245,50153441
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Trypsin

(Bos taurus (bovine))
BDBM773
JPEG
([amino(4-methylphenyl)methylidene]azanium | benzam...)
GoogleScholar
PDB
PC cid
PC sid
-6.57-2.58-3.994.90820.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin

(Bos taurus (bovine))
BDBM773
JPEG
([amino(4-methylphenyl)methylidene]azanium | benzam...)
GoogleScholar
PDB
PC cid
PC sid
-6.59-2.17-4.424.84825.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin

(Bos taurus (bovine))
BDBM773
JPEG
([amino(4-methylphenyl)methylidene]azanium | benzam...)
GoogleScholar
PDB
PC cid
PC sid
-6.57-1.62-4.944.74830



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin

(Bos taurus (bovine))
BDBM773
JPEG
([amino(4-methylphenyl)methylidene]azanium | benzam...)
GoogleScholar
PDB
PC cid
PC sid
-6.54-0.860-5.684.61837.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)