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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50380627   
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))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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67n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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Article
PubMed
3.12E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380627
PNG
(CHEMBL2016875)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|
Show InChI InChI=1S/C32H36N12O5S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-24-16-42(40-37-24)18-26-7-4-8-27(44(26)47)19-43-17-25(38-41-43)14-29(32(46)36-28)39-50(48,49)20-22-5-2-1-3-6-22/h1-3,5-12,16-17,28-29,39,47H,4,13-15,18-20H2,(H3,33,34)(H,35,45)(H,36,46)/t28-,29+/m0/s1
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PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by dixon plot method


J Med Chem 55: 1171-80 (2012)


Article DOI: 10.1021/jm2011996
BindingDB Entry DOI: 10.7270/Q26T0NN4
More data for this
Ligand-Target Pair