Found 9 hits for monomerid = 50380622 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)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/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)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/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
| 9 | 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 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 | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 493 | 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 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
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 493 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/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 | |
Prothrombin
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo... |
US Patent US8921319 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99S6 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo... |
US Patent US8921319 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99S6 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/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
| 3.47E+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 factor 10a by dixon plot method |
J Med Chem 55: 1171-80 (2012)
Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4 |
More data for this Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.51E+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 activated protein C by dixon plot method |
J Med Chem 55: 1171-80 (2012)
Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50380622
(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 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)| Show InChI InChI=1S/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+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.52E+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 thrombin by dixon plot method |
J Med Chem 55: 1171-80 (2012)
Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4 |
More data for this Ligand-Target Pair | |