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1 similar compounds to monomer 50380619

Compile data set for download or QSAR
Wt: 690.8
BDBM108095

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 108095   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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US Patent
3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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70n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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310n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at ...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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US Patent
1.20E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbioche...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Transcription initiation factor IIA


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 ...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM108095
PNG
(US8598206, Table 6, 4)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human t-PA was determined by the method described in [0092]-[0098] using recombinant human tissue-type plasminogen activator (Actilyse&...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair