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PubMed code 16257204

Compile data set for download or QSAR
Found 37 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))
BDBM50176251
PNG
(2-((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H13ClN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176252
PNG
(2-((6-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(F)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H13FN6/c17-9-2-4-11-13(6-9)23-15(21-11)7-14-20-10-3-1-8(16(18)19)5-12(10)22-14/h1-6H,7H2,(H3,18,19)(H,20,22)(H,21,23)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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1n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50176257
PNG
(2-((5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES Cc1cc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2cc1C
Show InChI InChI=1S/C18H18N6/c1-9-5-13-14(6-10(9)2)23-17(22-13)8-16-21-12-4-3-11(18(19)20)7-15(12)24-16/h3-7H,8H2,1-2H3,(H3,19,20)(H,21,24)(H,22,23)
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2n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176254
PNG
(2-((5,7-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H12Cl2N6/c17-8-4-9(18)15-12(5-8)23-14(24-15)6-13-21-10-2-1-7(16(19)20)3-11(10)22-13/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24)
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176250
PNG
(2-((5-fluoro-7-methoxy-1H-benzo[d]imidazol-2-yl)me...)
Show SMILES COc1cc(F)cc2[nH]c(Cc3nc4ccc(cc4[nH]3)C(N)=N)nc12
Show InChI InChI=1S/C17H15FN6O/c1-25-13-6-9(18)5-12-16(13)24-15(23-12)7-14-21-10-3-2-8(17(19)20)4-11(10)22-14/h2-6H,7H2,1H3,(H3,19,20)(H,21,22)(H,23,24)
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176256
PNG
(2-((5,6-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(F)c(F)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H12F2N6/c17-8-4-12-13(5-9(8)18)24-15(23-12)6-14-21-10-2-1-7(16(19)20)3-11(10)22-14/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24)
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6n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176255
PNG
(2-((5,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4c(F)cc(F)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H12F2N6/c17-8-4-9(18)15-12(5-8)23-14(24-15)6-13-21-10-2-1-7(16(19)20)3-11(10)22-13/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24)
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6n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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27n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176243
PNG
(2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
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30n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176253
PNG
(2-((6-methoxy-1H-benzo[d]imidazol-2-yl)methyl)-1H-...)
Show SMILES COc1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N6O/c1-24-10-3-5-12-14(7-10)23-16(21-12)8-15-20-11-4-2-9(17(18)19)6-13(11)22-15/h2-7H,8H2,1H3,(H3,18,19)(H,20,22)(H,21,23)
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40n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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46n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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60n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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74n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176247
PNG
(2-((5,6-dimethoxy-1H-benzo[d]imidazol-2-yl)methyl)...)
Show SMILES COc1cc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2cc1OC
Show InChI InChI=1S/C18H18N6O2/c1-25-14-6-12-13(7-15(14)26-2)24-17(23-12)8-16-21-10-4-3-9(18(19)20)5-11(10)22-16/h3-7H,8H2,1-2H3,(H3,19,20)(H,21,22)(H,23,24)
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80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176245
PNG
(2-((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H12Cl2N6/c17-8-4-12-13(5-9(8)18)24-15(23-12)6-14-21-10-2-1-7(16(19)20)3-11(10)22-14/h1-5H,6H2,(H3,19,20)(H,21,22)(H,23,24)
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140n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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320n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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460n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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720n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50176243
PNG
(2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
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900n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50176243
PNG
(2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
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1.10E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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1.45E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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2.70E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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1.05E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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2.60E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50176243
PNG
(2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
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3.80E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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3.90E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in presence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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4.56E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16306
PNG
(2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
Show InChI InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
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6.00E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16303
PNG
(2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)
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7.00E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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7.20E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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1.13E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FXa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM16307
PNG
(2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...)
Show SMILES NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
Show InChI InChI=1S/C14H13N5/c15-14(16)9-4-5-11-12(7-9)19-13(18-11)8-10-3-1-2-6-17-10/h1-7H,8H2,(H3,15,16)(H,18,19)
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to thrombin in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50176243
PNG
(2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H10N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)(H,14,15)(H,16,17)
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3.70E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50176244
PNG
(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N6/c16-13(17)8-5-6-11-12(7-8)21-15(20-11)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H3,16,17)(H,18,19)(H,20,21)
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4.40E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Binding affinity to FVIIa in absence of Zn2+


Bioorg Med Chem Lett 16: 710-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.023
BindingDB Entry DOI: 10.7270/Q2VM4BSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%