Found 4 hits Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50532389' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | 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 using Mes-DSer(Bzl)-Phe-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | 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 using Mes-DSer(Bzl)-Phe-Arg-AMC as substrate by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin assessed as slow binding constant in presence of Mes-DArg-Phe-Arg-AMC after 20 mins by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50532389
(CHEMBL4458743)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)| Show InChI InChI=1S/C42H56N10O6S.3C2HF3O2/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35;3*3-2(4,5)1(6)7/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56);3*(H,6,7)/t36-,37+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Binding affinity to human plasmin assessed as slow binding constant in presence of Mes-DArg-Phe-Arg-AMC after 20 mins by Dixon plot analysis |
J Med Chem 59: 6370-86 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00606
BindingDB Entry DOI: 10.7270/Q2377D5T |
More data for this
Ligand-Target Pair | |
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