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PubMed code 20405925

Compile data set for download or QSAR
Found 5 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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of factor 11a


J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a 490n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator


J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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PubMed
n/an/a>6.05E+5n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human LMW urokinase


J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%