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2 similar compounds to monomer 50380617

Compile data set for download or QSAR
Wt: 682.7
BDBM50380626
Wt: 681.7
BDBM141392

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50380626,141392   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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2.20n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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2.20n/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
Plasminogen


(Homo sapiens (Human))
BDBM141392
PNG
(US8921319, 14)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4ccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)cc4)nn3)cc1
Show InChI InChI=1/C33H35N11O4S/c34-31(35)26-12-10-22(11-13-26)16-36-32(45)29-14-27-19-43(41-38-27)17-23-6-8-24(9-7-23)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-25-4-2-1-3-5-25/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/s2
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5.40n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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US Patent
10.1n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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10.1n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM141392
PNG
(US8921319, 14)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4ccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)cc4)nn3)cc1
Show InChI InChI=1/C33H35N11O4S/c34-31(35)26-12-10-22(11-13-26)16-36-32(45)29-14-27-19-43(41-38-27)17-23-6-8-24(9-7-23)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-25-4-2-1-3-5-25/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/s2
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US Patent
12n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM141392
PNG
(US8921319, 14)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4ccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)cc4)nn3)cc1
Show InChI InChI=1/C33H35N11O4S/c34-31(35)26-12-10-22(11-13-26)16-36-32(45)29-14-27-19-43(41-38-27)17-23-6-8-24(9-7-23)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-25-4-2-1-3-5-25/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/s2
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US Patent
219n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM141392
PNG
(US8921319, 14)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4ccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)cc4)nn3)cc1
Show InChI InChI=1/C33H35N11O4S/c34-31(35)26-12-10-22(11-13-26)16-36-32(45)29-14-27-19-43(41-38-27)17-23-6-8-24(9-7-23)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-25-4-2-1-3-5-25/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/s2
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600n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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1.86E+3n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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1.86E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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4.56E+3n/an/an/an/an/an/a8.0n/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...


US Patent US8921319 (2014)


BindingDB Entry DOI: 10.7270/Q2RX99S6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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PubMed
6.18E+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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50380626
PNG
(CHEMBL2016874)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1
Show InChI InChI=1/C32H34N12O4S/c33-30(34)23-11-9-21(10-12-23)15-35-31(45)28-13-26-18-43(41-38-26)16-24-7-4-8-25(36-24)17-44-19-27(39-42-44)14-29(32(46)37-28)40-49(47,48)20-22-5-2-1-3-6-22/h1-12,18-19,28-29,40H,13-17,20H2,(H3,33,34)(H,35,45)(H,37,46)/t28-,29+/s2
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8.39E+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