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BDBM108108 US8598206, 117::US8598206, 123

SMILES: NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=LBBUQPWJBKYVNI-IOWSJCHKSA-N

Data: 21 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 108108   
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))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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1n/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))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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1n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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4n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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4n/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 X


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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400n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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400n/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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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850n/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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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850n/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
Factor XIIa


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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870n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human alpha-FXIIa was determined by the method described in [0092]-[0098] using activated human alpha-Factor XII (activated Hageman Fac...


US Patent US8598206 (2013)


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


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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870n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition of human alpha-FXIIa was determined by the method described in [0092]-[0098] using activated human alpha-Factor XII (activated Hageman Fac...


US Patent US8598206 (2013)


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


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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1.40E+3n/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
Coagulation factor XI


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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1.40E+3n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/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 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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/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 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
Transcription initiation factor IIA


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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4.90E+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
Transcription initiation factor IIA


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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4.90E+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 C1s


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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9.50E+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
Complement C1s


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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US Patent
1.00E+4n/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
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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>3.00E+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
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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>3.00E+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))
BDBM108108
PNG
(US8598206, 117 | US8598206, 123)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)|
Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1
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antibodypedia
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>2.00E+5n/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