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PubMed code 9733479

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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0.660n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066616
PNG
((Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12-
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5.60n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50066615
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14+
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29n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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33n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM50066616
PNG
((Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12-
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44n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066615
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14+
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130n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066613
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12+
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140n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066615
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14+
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200n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50066613
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12+
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200n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50066614
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+
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280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50066612
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2/CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11+,18-12+
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410n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM17277
PNG
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)
Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14-
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530n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066613
PNG
((E,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12+
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1.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066612
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2/CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11+,18-12+
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1.40E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066616
PNG
((Z,Z)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2\CCCC\C(=C\c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11-,18-12-
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1.40E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066612
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1cccc(\C=C2/CCCC\C(=C/c3cccc(c3)C(N)=N)C2=O)c1
Show InChI InChI=1S/C23H24N4O/c24-22(25)19-9-3-5-15(13-19)11-17-7-1-2-8-18(21(17)28)12-16-6-4-10-20(14-16)23(26)27/h3-6,9-14H,1-2,7-8H2,(H3,24,25)(H3,26,27)/b17-11+,18-12+
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2.10E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066614
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+
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6.20E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50066614
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+
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1.70E+4n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X


J Med Chem 41: 3551-6 (1998)


Article DOI: 10.1021/jm980281+
BindingDB Entry DOI: 10.7270/Q2QJ7GFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%