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Compile Data Set for Download or QSAR

Found 12 hits of Enz. Inhib. data with enzyme = 'Plasminogen' and Substrate = 'BDBM233014'   
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
Plasminogen


(Homo sapiens (Human))
BDBM233005
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)5-NH2 (4))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCN |r|
Show InChI InChI=1S/C17H36N8O4/c1-11(24-15(28)12(19)10-26)14(27)25-13(6-5-9-23-17(20)21)16(29)22-8-4-2-3-7-18/h11-13,26H,2-10,18-19H2,1H3,(H,22,29)(H,24,28)(H,25,27)(H4,20,21,23)/t11-,12-,13-/m0/s1
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3.70E+4n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233009
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)9-NH2 (8))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCN |r|
Show InChI InChI=1S/C21H44N8O4/c1-15(28-19(32)16(23)14-30)18(31)29-17(10-9-13-27-21(24)25)20(33)26-12-8-6-4-2-3-5-7-11-22/h15-17,30H,2-14,22-23H2,1H3,(H,26,33)(H,28,32)(H,29,31)(H4,24,25,27)/t15-,16-,17-/m0/s1
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9.00E+4n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233006
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)6-NH2 (5))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCN |r|
Show InChI InChI=1S/C18H38N8O4/c1-12(25-16(29)13(20)11-27)15(28)26-14(7-6-10-24-18(21)22)17(30)23-9-5-3-2-4-8-19/h12-14,27H,2-11,19-20H2,1H3,(H,23,30)(H,25,29)(H,26,28)(H4,21,22,24)/t12-,13-,14-/m0/s1
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1.81E+5n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233007
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)7-NH2 (6))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCN |r|
Show InChI InChI=1S/C19H40N8O4/c1-13(26-17(30)14(21)12-28)16(29)27-15(8-7-11-25-19(22)23)18(31)24-10-6-4-2-3-5-9-20/h13-15,28H,2-12,20-21H2,1H3,(H,24,31)(H,26,30)(H,27,29)(H4,22,23,25)/t13-,14-,15-/m0/s1
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3.64E+5n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233012
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)4-OH (11))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCO |r|
Show InChI InChI=1S/C16H33N7O5/c1-10(22-14(27)11(17)9-25)13(26)23-12(5-4-7-21-16(18)19)15(28)20-6-2-3-8-24/h10-12,24-25H,2-9,17H2,1H3,(H,20,28)(H,22,27)(H,23,26)(H4,18,19,21)/t10-,11-,12-/m0/s1
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5.45E+5n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233010
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)2-OH (9))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCO |r|
Show InChI InChI=1S/C14H29N7O5/c1-8(20-12(25)9(15)7-23)11(24)21-10(13(26)18-5-6-22)3-2-4-19-14(16)17/h8-10,22-23H,2-7,15H2,1H3,(H,18,26)(H,20,25)(H,21,24)(H4,16,17,19)/t8-,9-,10-/m0/s1
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7.27E+5n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233011
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)3-OH (10))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCO |r|
Show InChI InChI=1S/C15H31N7O5/c1-9(21-13(26)10(16)8-24)12(25)22-11(4-2-5-20-15(17)18)14(27)19-6-3-7-23/h9-11,23-24H,2-8,16H2,1H3,(H,19,27)(H,21,26)(H,22,25)(H4,17,18,20)/t9-,10-,11-/m0/s1
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1.09E+6n/an/an/an/an/an/a7.4n/a



Medical University of Bialystok



Assay Description
Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of ...


J Enzyme Inhib Med Chem 25: 139-42 (2010)


Article DOI: 10.3109/14756360903049042
BindingDB Entry DOI: 10.7270/Q23R0RR3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233164
PNG
(Carbocyclic minor groove binder, 6)
Show SMILES Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C33H34N6O4/c34-26-12-4-8-22(18-26)32(42)38-28-14-6-10-24(20-28)30(40)36-16-2-1-3-17-37-31(41)25-11-7-15-29(21-25)39-33(43)23-9-5-13-27(35)19-23/h4-15,18-21H,1-3,16-17,34-35H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233162
PNG
(Carbocyclic minor groove binder, 4)
Show SMILES Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C31H30N6O4/c32-24-10-1-6-20(16-24)30(40)36-26-12-3-8-22(18-26)28(38)34-14-5-15-35-29(39)23-9-4-13-27(19-23)37-31(41)21-7-2-11-25(33)17-21/h1-4,6-13,16-19H,5,14-15,32-33H2,(H,34,38)(H,35,39)(H,36,40)(H,37,41)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM233163
PNG
(Carbocyclic minor groove binder, 5)
Show SMILES Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C32H32N6O4/c33-25-11-3-7-21(17-25)31(41)37-27-13-5-9-23(19-27)29(39)35-15-1-2-16-36-30(40)24-10-6-14-28(20-24)38-32(42)22-8-4-12-26(34)18-22/h3-14,17-20H,1-2,15-16,33-34H2,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50055660
PNG
(1-amino-3-(4-(4-(2-(amino(iminio)methylamino)aceta...)
Show SMILES [#6]-n1cc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#6]\[#7]=[#6](\[#7])-[#7])cn2-[#6])cc1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#7])=[#7]
Show InChI InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair