Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50532391' 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)) | BDBM50532391
(CHEMBL4591922)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)CCCC |r,wU:49.47,wD:22.18,(25.66,-27.36,;26.46,-28.69,;25.7,-30.05,;28.02,-28.66,;29.44,-28.63,;29.07,-29.9,;29.03,-27.38,;25.74,-22.32,;26.54,-23.65,;25.78,-25.01,;28.1,-23.62,;29.52,-23.6,;29.15,-24.86,;29.11,-22.34,;26.34,-32.07,;27.14,-33.4,;26.39,-34.77,;28.71,-33.37,;30.12,-33.35,;29.75,-34.62,;29.71,-32.1,;11.88,-20.61,;11.84,-22.13,;11.79,-23.66,;10.8,-24.83,;9.29,-24.54,;8.29,-25.7,;8.8,-27.15,;8.05,-28.63,;8.79,-30,;7.98,-31.33,;10.35,-30.04,;11.09,-31.41,;12.65,-31.45,;13.45,-30.14,;14.98,-30.18,;15.7,-31.53,;14.9,-32.83,;13.37,-32.78,;17.26,-31.58,;18.07,-30.25,;19.63,-30.3,;20.37,-31.67,;20.4,-28.94,;18.59,-27.45,;18.96,-25.94,;17.84,-24.86,;16.34,-25.29,;15.79,-23.43,;15.84,-21.49,;15.88,-19.96,;14.49,-22.21,;13.18,-21.41,;13.23,-19.88,;17.13,-22.29,;17.09,-23.82,;18.48,-21.57,;19.78,-22.37,;21.13,-21.64,;22.43,-22.46,;23.78,-21.73,;23.83,-20.2,;22.52,-19.4,;21.17,-20.13,;25.17,-19.48,;26.48,-20.27,;25.22,-17.93,;15.97,-26.8,;17.09,-27.89,;10.32,-27.42,;11.3,-26.26,;10.53,-21.33,;9.16,-22.07,;9.93,-23.41,;8.38,-23.41,;7.84,-21.26,;6.47,-22,;5.14,-21.18,;3.77,-21.92,)| Show InChI InChI=1S/C40H53N9O6S.3C2HF3O2/c1-2-3-24-56(54,55)47-35-26-29-8-14-33(15-9-29)45-37(51)17-19-49-22-20-48(21-23-49)18-16-36(50)44-32-12-6-28(7-13-32)25-34(46-40(35)53)39(52)43-27-30-4-10-31(11-5-30)38(41)42;3*3-2(4,5)1(6)7/h4-15,34-35,47H,2-3,16-27H2,1H3,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.450 | 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)) | BDBM50532391
(CHEMBL4591922)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)CCCC |r,wU:49.47,wD:22.18,(25.66,-27.36,;26.46,-28.69,;25.7,-30.05,;28.02,-28.66,;29.44,-28.63,;29.07,-29.9,;29.03,-27.38,;25.74,-22.32,;26.54,-23.65,;25.78,-25.01,;28.1,-23.62,;29.52,-23.6,;29.15,-24.86,;29.11,-22.34,;26.34,-32.07,;27.14,-33.4,;26.39,-34.77,;28.71,-33.37,;30.12,-33.35,;29.75,-34.62,;29.71,-32.1,;11.88,-20.61,;11.84,-22.13,;11.79,-23.66,;10.8,-24.83,;9.29,-24.54,;8.29,-25.7,;8.8,-27.15,;8.05,-28.63,;8.79,-30,;7.98,-31.33,;10.35,-30.04,;11.09,-31.41,;12.65,-31.45,;13.45,-30.14,;14.98,-30.18,;15.7,-31.53,;14.9,-32.83,;13.37,-32.78,;17.26,-31.58,;18.07,-30.25,;19.63,-30.3,;20.37,-31.67,;20.4,-28.94,;18.59,-27.45,;18.96,-25.94,;17.84,-24.86,;16.34,-25.29,;15.79,-23.43,;15.84,-21.49,;15.88,-19.96,;14.49,-22.21,;13.18,-21.41,;13.23,-19.88,;17.13,-22.29,;17.09,-23.82,;18.48,-21.57,;19.78,-22.37,;21.13,-21.64,;22.43,-22.46,;23.78,-21.73,;23.83,-20.2,;22.52,-19.4,;21.17,-20.13,;25.17,-19.48,;26.48,-20.27,;25.22,-17.93,;15.97,-26.8,;17.09,-27.89,;10.32,-27.42,;11.3,-26.26,;10.53,-21.33,;9.16,-22.07,;9.93,-23.41,;8.38,-23.41,;7.84,-21.26,;6.47,-22,;5.14,-21.18,;3.77,-21.92,)| Show InChI InChI=1S/C40H53N9O6S.3C2HF3O2/c1-2-3-24-56(54,55)47-35-26-29-8-14-33(15-9-29)45-37(51)17-19-49-22-20-48(21-23-49)18-16-36(50)44-32-12-6-28(7-13-32)25-34(46-40(35)53)39(52)43-27-30-4-10-31(11-5-30)38(41)42;3*3-2(4,5)1(6)7/h4-15,34-35,47H,2-3,16-27H2,1H3,(H3,41,42)(H,43,52)(H,44,50)(H,45,51)(H,46,53);3*(H,6,7)/t34-,35+;;;/m0.../s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.450 | 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 | |
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