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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8086   
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
Urokinase-type plasminogen activator


(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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UniChem
Article
PubMed
6.30E+3n/an/an/an/an/an/a8.8n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM233008
PNG
(H-D-Ser-Ala-Arg-NH-(CH2)8-NH2 (7))
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCN |r|
Show InChI InChI=1S/C20H42N8O4/c1-14(27-18(31)15(22)13-29)17(30)28-16(9-8-12-26-20(23)24)19(32)25-11-7-5-3-2-4-6-10-21/h14-16,29H,2-13,21-22H2,1H3,(H,25,32)(H,27,31)(H,28,30)(H4,23,24,26)/t14-,15-,16-/m0/s1
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UniChem
Article
PubMed
8.70E+4n/an/an/an/an/an/a8.8n/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
Urokinase-type plasminogen activator


(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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2.44E+5n/an/an/an/an/an/a8.8n/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
Urokinase-type plasminogen activator


(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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2.93E+5n/an/an/an/an/an/a8.8n/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