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PubMed code 21944858

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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))
BDBM50355952
PNG
(CHEMBL1910421)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C21H33N5O2/c1-3-15(2)19(24)21(28)26-18(13-16-9-5-4-6-10-16)20(27)25-17(14-23)11-7-8-12-22/h4-6,9-10,15,17-19H,3,7-8,11-13,22,24H2,1-2H3,(H,25,27)(H,26,28)/t15-,17+,18+,19-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355960
PNG
(CHEMBL1910642)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1)C#N |r|
Show InChI InChI=1S/C37H37FN6O3/c38-30-12-8-26(9-13-30)23-44-24-29(32-6-1-2-7-34(32)44)11-15-36(45)43-33-21-28(37(46)42-31(22-40)5-3-4-18-39)10-14-35(33)47-25-27-16-19-41-20-17-27/h1-2,6-10,12-14,16-17,19-21,24,31H,3-5,11,15,18,23,25,39H2,(H,42,46)(H,43,45)/t31-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355956
PNG
(CHEMBL1910638)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc3ccccc3c2)c1)C#N |r|
Show InChI InChI=1S/C31H31N5O3/c32-14-4-3-7-27(20-33)35-31(38)26-10-11-29(39-21-22-12-15-34-16-13-22)28(19-26)36-30(37)18-23-8-9-24-5-1-2-6-25(24)17-23/h1-2,5-6,8-13,15-17,19,27H,3-4,7,14,18,21,32H2,(H,35,38)(H,36,37)/t27-/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355958
PNG
(CHEMBL1910640)
Show SMILES CC(C)(C)OC(=O)n1cc(CCC(=O)Nc2cc(ccc2OCc2ccncc2)C(=O)N[C@@H](CCCCN)C#N)c2ccccc12 |r|
Show InChI InChI=1S/C35H40N6O5/c1-35(2,3)46-34(44)41-22-26(28-9-4-5-10-30(28)41)12-14-32(42)40-29-20-25(33(43)39-27(21-37)8-6-7-17-36)11-13-31(29)45-23-24-15-18-38-19-16-24/h4-5,9-11,13,15-16,18-20,22,27H,6-8,12,14,17,23,36H2,1-3H3,(H,39,43)(H,40,42)/t27-/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355954
PNG
(CHEMBL1910423)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C#N |r|
Show InChI InChI=1S/C19H22N4O2/c20-10-2-1-3-17(13-21)23-19(24)16-4-6-18(7-5-16)25-14-15-8-11-22-12-9-15/h4-9,11-12,17H,1-3,10,14,20H2,(H,23,24)/t17-/m0/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355953
PNG
(CHEMBL1910422)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C21H35N5O3/c1-3-14(2)18(23)21(29)26-17(13-15-9-5-4-6-10-15)20(28)25-16(19(24)27)11-7-8-12-22/h4-6,9-10,14,16-18H,3,7-8,11-13,22-23H2,1-2H3,(H2,24,27)(H,25,28)(H,26,29)/t14-,16+,17+,18-/m1/s1
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n/an/a 2.90E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355959
PNG
(CHEMBL1910641)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2c[nH]c3ccccc23)c1)C#N |r|
Show InChI InChI=1S/C30H32N6O3/c31-14-4-3-5-24(18-32)35-30(38)22-8-10-28(39-20-21-12-15-33-16-13-21)27(17-22)36-29(37)11-9-23-19-34-26-7-2-1-6-25(23)26/h1-2,6-8,10,12-13,15-17,19,24,34H,3-5,9,11,14,20,31H2,(H,35,38)(H,36,37)/t24-/m0/s1
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n/an/a 3.70E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50355956
PNG
(CHEMBL1910638)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc3ccccc3c2)c1)C#N |r|
Show InChI InChI=1S/C31H31N5O3/c32-14-4-3-7-27(20-33)35-31(38)26-10-11-29(39-21-22-12-15-34-16-13-22)28(19-26)36-30(37)18-23-8-9-24-5-1-2-6-25(24)17-23/h1-2,5-6,8-13,15-17,19,27H,3-4,7,14,18,21,32H2,(H,35,38)(H,36,37)/t27-/m0/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355957
PNG
(CHEMBL1910639)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2cccc3ccccc23)c1)C#N |r|
Show InChI InChI=1S/C31H31N5O3/c32-15-4-3-9-26(20-33)35-31(38)25-11-12-29(39-21-22-13-16-34-17-14-22)28(18-25)36-30(37)19-24-8-5-7-23-6-1-2-10-27(23)24/h1-2,5-8,10-14,16-18,26H,3-4,9,15,19,21,32H2,(H,35,38)(H,36,37)/t26-/m0/s1
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n/an/a 5.70E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50355955
PNG
(CHEMBL1910424)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc(F)cc2)c1)C#N |r|
Show InChI InChI=1S/C27H28FN5O3/c28-22-7-4-19(5-8-22)15-26(34)33-24-16-21(27(35)32-23(17-30)3-1-2-12-29)6-9-25(24)36-18-20-10-13-31-14-11-20/h4-11,13-14,16,23H,1-3,12,15,18,29H2,(H,32,35)(H,33,34)/t23-/m0/s1
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n/an/a 5.90E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50355957
PNG
(CHEMBL1910639)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2cccc3ccccc23)c1)C#N |r|
Show InChI InChI=1S/C31H31N5O3/c32-15-4-3-9-26(20-33)35-31(38)25-11-12-29(39-21-22-13-16-34-17-14-22)28(18-25)36-30(37)19-24-8-5-7-23-6-1-2-10-27(23)24/h1-2,5-8,10-14,16-18,26H,3-4,9,15,19,21,32H2,(H,35,38)(H,36,37)/t26-/m0/s1
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n/an/a 6.80E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50355958
PNG
(CHEMBL1910640)
Show SMILES CC(C)(C)OC(=O)n1cc(CCC(=O)Nc2cc(ccc2OCc2ccncc2)C(=O)N[C@@H](CCCCN)C#N)c2ccccc12 |r|
Show InChI InChI=1S/C35H40N6O5/c1-35(2,3)46-34(44)41-22-26(28-9-4-5-10-30(28)41)12-14-32(42)40-29-20-25(33(43)39-27(21-37)8-6-7-17-36)11-13-31(29)45-23-24-15-18-38-19-16-24/h4-5,9-11,13,15-16,18-20,22,27H,6-8,12,14,17,23,36H2,1-3H3,(H,39,43)(H,40,42)/t27-/m0/s1
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n/an/a 9.10E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein


Bioorg Med Chem Lett 21: 6305-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.121
BindingDB Entry DOI: 10.7270/Q2DR2VX4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%