Found 6 hits for monomerid = 50425654 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Plasminogen
(Homo sapiens (Human)) | BDBM50425654
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50425654
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Prothrombin
(Homo sapiens (Human)) | BDBM50425654
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 884 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425654
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50425654
(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 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |