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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Plasmin' and Monomerid = 50060000   
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
Plasminogen


(Homo sapiens (Human))
BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin


J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the activity of Plasmin


Bioorg Med Chem Lett 7: 2205-2210 (1997)


Article DOI: 10.1016/S0960-894X(97)00403-4
BindingDB Entry DOI: 10.7270/Q21G0MR2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50060000
PNG
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)
Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)


J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair