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13 similar compounds to monomer 50425648

Compile data set for download or QSAR
Wt: 821.9
BDBM50380622
Wt: 793.9
BDBM50425649
Wt: 836.0
BDBM50425650
Wt: 821.9
BDBM50425651
Wt: 821.9
BDBM50425652
Wt: 821.9
BDBM50425653
Wt: 807.9
BDBM50425654
Wt: 836.0
BDBM50425655
Wt: 807.9
BDBM50425656
Wt: 821.9
BDBM50425657
Wt: 821.9
BDBM50425658
Wt: 793.9
BDBM50425659
Wt: 793.9
BDBM50425661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 96 hits for monomerid = 50380622,50425649,50425650,50425651,50425652,50425653,50425654,50425655,50425656,50425657,50425658,50425659,50425661   
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))
BDBM50425654
PNG
(CHEMBL2315236)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)34-14-10-32(11-15-34)25-46-41(54)36-22-30-12-16-35(17-13-30)47-39(53)27-51-20-18-50(19-21-51)26-38(52)45-24-31-8-6-29(7-9-31)23-37(42(55)48-36)49-58(56,57)28-33-4-2-1-3-5-33/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t36-,37+/s2
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0.520n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425656
PNG
(CHEMBL2315246)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)33-13-7-31(8-14-33)25-45-41(54)36-23-29-9-15-34(16-10-29)46-38(52)26-50-19-4-20-51(22-21-50)27-39(53)47-35-17-11-30(12-18-35)24-37(42(55)48-36)49-58(56,57)28-32-5-2-1-3-6-32/h1-3,5-18,36-37,49H,4,19-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t36-,37+/s2
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0.570n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425657
PNG
(CHEMBL2315245)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-26-30-11-15-35(16-12-30)47-39(53)17-19-51-21-23-52(24-22-51)20-18-40(54)48-36-8-4-7-33(25-36)27-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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0.600n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425649
PNG
(CHEMBL2315239)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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0.680n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425653
PNG
(CHEMBL2315237)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)35-15-11-33(12-16-35)26-47-42(55)37-23-31-13-17-36(18-14-31)48-40(54)28-52-20-4-19-51(21-22-52)27-39(53)46-25-32-9-7-30(8-10-32)24-38(43(56)49-37)50-59(57,58)29-34-5-2-1-3-6-34/h1-3,5-18,37-38,50H,4,19-29H2,(H3,44,45)(H,46,53)(H,47,55)(H,48,54)(H,49,56)/t37-,38+/s2
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0.760n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425652
PNG
(CHEMBL2315234)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29+,37-,38+/s2
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1.20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425655
PNG
(CHEMBL2315247)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C44H53N9O6S/c45-42(46)35-13-7-33(8-14-35)29-47-43(56)38-27-31-9-15-36(16-10-31)48-40(54)19-23-52-21-4-22-53(26-25-52)24-20-41(55)49-37-17-11-32(12-18-37)28-39(44(57)50-38)51-60(58,59)30-34-5-2-1-3-6-34/h1-3,5-18,38-39,51H,4,19-30H2,(H3,45,46)(H,47,56)(H,48,54)(H,49,55)(H,50,57)/t38-,39+/s2
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1.30n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425651
PNG
(CHEMBL2315235)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/s2
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1.60n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425650
PNG
(CHEMBL2315238)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/s2
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1.70n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425656
PNG
(CHEMBL2315246)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)33-13-7-31(8-14-33)25-45-41(54)36-23-29-9-15-34(16-10-29)46-38(52)26-50-19-4-20-51(22-21-50)27-39(53)47-35-17-11-30(12-18-35)24-37(42(55)48-36)49-58(56,57)28-32-5-2-1-3-6-32/h1-3,5-18,36-37,49H,4,19-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t36-,37+/s2
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3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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3.20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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3.40n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425657
PNG
(CHEMBL2315245)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-26-30-11-15-35(16-12-30)47-39(53)17-19-51-21-23-52(24-22-51)20-18-40(54)48-36-8-4-7-33(25-36)27-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425658
PNG
(CHEMBL2315244)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-27-33-7-4-8-36(25-33)48-40(54)18-20-52-23-21-51(22-24-52)19-17-39(53)47-35-15-11-30(12-16-35)26-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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5.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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7n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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7.80n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/s2
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US Patent
9n/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))
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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9n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/s2
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9n/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
Trypsin


(Sus scrofa)
BDBM50425655
PNG
(CHEMBL2315247)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C44H53N9O6S/c45-42(46)35-13-7-33(8-14-35)29-47-43(56)38-27-31-9-15-36(16-10-31)48-40(54)19-23-52-21-4-22-53(26-25-52)24-20-41(55)49-37-17-11-32(12-18-37)28-39(44(57)50-38)51-60(58,59)30-34-5-2-1-3-6-34/h1-3,5-18,38-39,51H,4,19-30H2,(H3,45,46)(H,47,56)(H,48,54)(H,49,55)(H,50,57)/t38-,39+/s2
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10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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12n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425654
PNG
(CHEMBL2315236)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)34-14-10-32(11-15-34)25-46-41(54)36-22-30-12-16-35(17-13-30)47-39(53)27-51-20-18-50(19-21-51)26-38(52)45-24-31-8-6-29(7-9-31)23-37(42(55)48-36)49-58(56,57)28-33-4-2-1-3-5-33/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t36-,37+/s2
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18n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425652
PNG
(CHEMBL2315234)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29+,37-,38+/s2
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18n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425658
PNG
(CHEMBL2315244)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-27-33-7-4-8-36(25-33)48-40(54)18-20-52-23-21-51(22-24-52)19-17-39(53)47-35-15-11-30(12-16-35)26-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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24n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425658
PNG
(CHEMBL2315244)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-27-33-7-4-8-36(25-33)48-40(54)18-20-52-23-21-51(22-24-52)19-17-39(53)47-35-15-11-30(12-16-35)26-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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25n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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39n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425653
PNG
(CHEMBL2315237)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)35-15-11-33(12-16-35)26-47-42(55)37-23-31-13-17-36(18-14-31)48-40(54)28-52-20-4-19-51(21-22-52)27-39(53)46-25-32-9-7-30(8-10-32)24-38(43(56)49-37)50-59(57,58)29-34-5-2-1-3-6-34/h1-3,5-18,37-38,50H,4,19-29H2,(H3,44,45)(H,46,53)(H,47,55)(H,48,54)(H,49,56)/t37-,38+/s2
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42n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50425649
PNG
(CHEMBL2315239)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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44n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human trypsin


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425651
PNG
(CHEMBL2315235)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/s2
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55n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425649
PNG
(CHEMBL2315239)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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63n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425650
PNG
(CHEMBL2315238)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/s2
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116n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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118n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50425650
PNG
(CHEMBL2315238)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/s2
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126n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425654
PNG
(CHEMBL2315236)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)34-14-10-32(11-15-34)25-46-41(54)36-22-30-12-16-35(17-13-30)47-39(53)27-51-20-18-50(19-21-51)26-38(52)45-24-31-8-6-29(7-9-31)23-37(42(55)48-36)49-58(56,57)28-33-4-2-1-3-5-33/h1-17,36-37,49H,18-28H2,(H3,43,44)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t36-,37+/s2
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187n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50425661
PNG
(CHEMBL2315240)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-14-12-28(13-15-32)24-44-40(53)35-22-30-8-4-10-33(20-30)45-37(51)25-49-16-18-50(19-17-49)26-38(52)46-34-11-5-9-31(21-34)23-36(41(54)47-35)48-57(55,56)27-29-6-2-1-3-7-29/h1-15,20-21,35-36,48H,16-19,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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227n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50425658
PNG
(CHEMBL2315244)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-27-33-7-4-8-36(25-33)48-40(54)18-20-52-23-21-51(22-24-52)19-17-39(53)47-35-15-11-30(12-16-35)26-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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237n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425657
PNG
(CHEMBL2315245)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-26-30-11-15-35(16-12-30)47-39(53)17-19-51-21-23-52(24-22-51)20-18-40(54)48-36-8-4-7-33(25-36)27-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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240n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425651
PNG
(CHEMBL2315235)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/s2
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242n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425649
PNG
(CHEMBL2315239)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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320n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50425657
PNG
(CHEMBL2315245)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-26-30-11-15-35(16-12-30)47-39(53)17-19-51-21-23-52(24-22-51)20-18-40(54)48-36-8-4-7-33(25-36)27-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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376n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425656
PNG
(CHEMBL2315246)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C42H49N9O6S/c43-40(44)33-13-7-31(8-14-33)25-45-41(54)36-23-29-9-15-34(16-10-29)46-38(52)26-50-19-4-20-51(22-21-50)27-39(53)47-35-17-11-30(12-18-35)24-37(42(55)48-36)49-58(56,57)28-32-5-2-1-3-6-32/h1-3,5-18,36-37,49H,4,19-28H2,(H3,43,44)(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t36-,37+/s2
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392n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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415n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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420n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425655
PNG
(CHEMBL2315247)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C44H53N9O6S/c45-42(46)35-13-7-33(8-14-35)29-47-43(56)38-27-31-9-15-36(16-10-31)48-40(54)19-23-52-21-4-22-53(26-25-52)24-20-41(55)49-37-17-11-32(12-18-37)28-39(44(57)50-38)51-60(58,59)30-34-5-2-1-3-6-34/h1-3,5-18,38-39,51H,4,19-30H2,(H3,45,46)(H,47,56)(H,48,54)(H,49,55)(H,50,57)/t38-,39+/s2
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422n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50425653
PNG
(CHEMBL2315237)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)35-15-11-33(12-16-35)26-47-42(55)37-23-31-13-17-36(18-14-31)48-40(54)28-52-20-4-19-51(21-22-52)27-39(53)46-25-32-9-7-30(8-10-32)24-38(43(56)49-37)50-59(57,58)29-34-5-2-1-3-6-34/h1-3,5-18,37-38,50H,4,19-29H2,(H3,44,45)(H,46,53)(H,47,55)(H,48,54)(H,49,56)/t37-,38+/s2
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440n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/s2
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493n/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))
BDBM50380622
PNG
(CHEMBL2016867)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)36-16-14-34(15-17-36)26-48-42(55)37-22-30-6-10-32(11-7-30)24-46-39(53)27-51-18-20-52(21-19-51)28-40(54)47-25-33-12-8-31(9-13-33)23-38(43(56)49-37)50-59(57,58)29-35-4-2-1-3-5-35/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t37-,38+/s2
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US Patent
493n/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))
BDBM50425652
PNG
(CHEMBL2315234)
Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3
Show InChI InChI=1/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29+,37-,38+/s2
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500n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50425659
PNG
(CHEMBL2315242)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-13-9-29(10-14-32)24-44-40(53)35-22-28-11-15-33(16-12-28)45-37(51)25-49-17-19-50(20-18-49)26-38(52)46-34-8-4-7-31(21-34)23-36(41(54)47-35)48-57(55,56)27-30-5-2-1-3-6-30/h1-16,21,35-36,48H,17-20,22-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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604n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50425658
PNG
(CHEMBL2315244)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-13-9-31(10-14-34)28-46-42(55)37-27-33-7-4-8-36(25-33)48-40(54)18-20-52-23-21-51(22-24-52)19-17-39(53)47-35-15-11-30(12-16-35)26-38(43(56)49-37)50-59(57,58)29-32-5-2-1-3-6-32/h1-16,25,37-38,50H,17-24,26-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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880n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
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