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57 similar compounds to monomer 50180400

Compile data set for download or QSAR
Wt: 442.4
BDBM14340
Wt: 472.4
BDBM14341
Wt: 460.4
BDBM14342
Wt: 366.3
BDBM14343
Wt: 457.4
BDBM14345
Wt: 456.4
BDBM14355
Wt: 444.4
BDBM14897
Wt: 478.4
BDBM14898
Wt: 494.8
BDBM14899
Wt: 505.4
BDBM14900
Wt: 475.4
BDBM14901
Wt: 485.4
BDBM14902
Wt: 460.4
BDBM14903
Wt: 529.3
BDBM14905
Wt: 529.3
BDBM14906
Displayed 1 to 15 (of 57 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 14340,14341,14342,14343,14345,14355,14897,14898,14899,14900,14901,14902,14903,14905,14906   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to F7a/TF complex


Bioorg Med Chem Lett 16: 2037-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.059
BindingDB Entry DOI: 10.7270/Q2639PBP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4 -11.3n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to factor7a/TF complex


Bioorg Med Chem Lett 16: 2243-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14899
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19ClN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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5.40 -11.2n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14900
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)[N+]([O-])=O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19N5O8/c25-22(26)10-1-3-17-18(7-10)28-23(27-17)16-6-11(13(24(34)35)9-20(31)32)5-15(21(16)33)14-8-12(29(36)37)2-4-19(14)30/h1-8,13,30,33H,9H2,(H3,25,26)(H,27,28)(H,31,32)(H,34,35)
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6 -11.1n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14897
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)
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8n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14901
PNG
(2-[3-(5-amino-2-hydroxyphenyl)-5-(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(N)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H21N5O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9,25H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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10 -10.8n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14902
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C#N)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H19N5O6/c26-10-11-1-4-20(31)15(5-11)16-6-13(14(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-2-12(23(27)28)8-19(18)30-24/h1-8,14,31,34H,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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12 -10.7n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14903
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O6/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29/h1-9,14,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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13 -10.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14903
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O6/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29/h1-9,14,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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13n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Binding affinity to plasma kallikrein


Bioorg Med Chem Lett 16: 2034-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14905
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Cl)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-14(21(34)16(26)7-11)13-3-10(12(24(35)36)8-19(31)32)4-15(20(13)33)23-29-17-2-1-9(22(27)28)5-18(17)30-23/h1-7,12,33-34H,8H2,(H3,27,28)(H,29,30)(H,31,32)(H,35,36)
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14 -10.6n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14906
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1c(O)cc(Cl)cc1Cl)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-15(26)20(18(31)7-11)13-3-10(12(24(35)36)8-19(32)33)4-14(21(13)34)23-29-16-2-1-9(22(27)28)5-17(16)30-23/h1-7,12,31,34H,8H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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25 -10.3n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14897
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)
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74 -9.62n/an/an/an/an/a7.422



Celera



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14342
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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85n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14340
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)/p-2/t16-/m1/s1
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120n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14342
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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170n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14340
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)/p-2/t16-/m1/s1
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290n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14341
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
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750n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14341
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
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780n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14345
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM14342
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14340
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)/p-2/t16-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14342
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14355
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O5/c1-12-4-2-3-5-15(12)17-8-14(16(25(33)34)11-21(30)31)9-18(22(17)32)24-28-19-7-6-13(23(26)27)10-20(19)29-24/h2-10,16,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t16-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14341
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14340
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)/p-2/t16-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14345
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14355
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O5/c1-12-4-2-3-5-15(12)17-8-14(16(25(33)34)11-21(30)31)9-18(22(17)32)24-28-19-7-6-13(23(26)27)10-20(19)29-24/h2-10,16,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t16-/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14343
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H16N4O5/c19-16(20)9-1-3-12-13(6-9)22-17(21-12)11-5-8(2-4-14(11)23)10(18(26)27)7-15(24)25/h1-6,10,23H,7H2,(H3,19,20)(H,21,22)(H,24,25)(H,26,27)/p-2/t10-/m1/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14341
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14345
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14343
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H16N4O5/c19-16(20)9-1-3-12-13(6-9)22-17(21-12)11-5-8(2-4-14(11)23)10(18(26)27)7-15(24)25/h1-6,10,23H,7H2,(H3,19,20)(H,21,22)(H,24,25)(H,26,27)/p-2/t10-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14343
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H16N4O5/c19-16(20)9-1-3-12-13(6-9)22-17(21-12)11-5-8(2-4-14(11)23)10(18(26)27)7-15(24)25/h1-6,10,23H,7H2,(H3,19,20)(H,21,22)(H,24,25)(H,26,27)/p-2/t10-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14355
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O5/c1-12-4-2-3-5-15(12)17-8-14(16(25(33)34)11-21(30)31)9-18(22(17)32)24-28-19-7-6-13(23(26)27)10-20(19)29-24/h2-10,16,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t16-/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14342
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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7.00E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14345
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
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PC sid
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UniChem

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>7.50E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14343
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H16N4O5/c19-16(20)9-1-3-12-13(6-9)22-17(21-12)11-5-8(2-4-14(11)23)10(18(26)27)7-15(24)25/h1-6,10,23H,7H2,(H3,19,20)(H,21,22)(H,24,25)(H,26,27)/p-2/t10-/m1/s1
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PubMed
>7.50E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14341
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
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PC cid
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PubMed
>7.50E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14340
PNG
((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O
Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33)/p-2/t16-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
1.60E+5n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair