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PDB code 1O5C

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14350
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|
Show InChI InChI=1/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/s2
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PubMed
30 -42.5n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14350
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|
Show InChI InChI=1/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/s2
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PubMed
33 -42.3n/an/an/an/an/a7.422



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase (uPA) Mutant (S190A)

  (253/253 = 100%)
(Homo sapiens (human))
BDBM14350
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|
Show InChI InChI=1/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/s2
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PubMed
6.00E+3 -29.5n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 17 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
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PubMed
110 -39.3n/an/an/an/an/a7.422



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
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PubMed
110 -39.3n/an/an/an/an/a7.422



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
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Article
PubMed
150 -38.6n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
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PubMed
160 -38.4n/an/an/an/an/a8.222



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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PubMed
180 -38.1n/an/an/an/an/a8.222



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
PDB
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Article
PubMed
190 -38.0n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
PDB
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PubMed
250 -37.3n/an/an/an/an/a7.422



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
PDB
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PubMed
390 -36.2n/an/an/an/an/a8.222



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
PDB
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PubMed
500 -35.6n/an/an/an/an/a7.422



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
PDB
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PubMed
2.00E+3 -32.2n/an/an/an/an/a8.222



Axys Pharmaceutical



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...


Citation and Details
More data for this
Ligand-Target Pair
Urokinase (uPA) Mutant (S190A)

  (253/253 = 100%)
(Homo sapiens (human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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PubMed
3.90E+3 -30.6n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
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5.00E+3 -30.0n/an/an/an/an/a7.822



Axys Pharmaceuticals Corporation



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 307: 1451-86 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase (uPA) Mutant (S190A)

  (253/253 = 100%)
(Homo sapiens (human))
BDBM14148
PNG
(2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...)
Show SMILES CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
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PubMed
2.30E+4 -26.2n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
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PubMed
9.50E+4 -22.7n/an/an/an/an/a7.422



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 344: 527-47 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
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PubMed
9.70E+4 -22.7n/an/an/an/an/a7.422



Axys Pharmaceutical



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...


Chem Biol 7: 299-312 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator

  (250/253 = 99%)
(Homo sapiens (Human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
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PubMed
1.80E+5 -21.4n/an/an/an/an/a8.025



Max-Planck-Institut fuer Biochemie



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...


J Mol Biol 301: 465-75 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase (uPA) Mutant (S190A)

  (253/253 = 100%)
(Homo sapiens (human))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
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3.80E+5 -19.3n/an/an/an/an/a7.422



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 344: 527-47 (2004)

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* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output